N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methyl-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-nitro-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-nitro-N-(2-pyridin-2-ylethyl)benzamide

C88H84N8O13 — CID 161396856

IUPACN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methyl-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-nitro-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-nitro-N-(2-pyridin-2-ylethyl)benzamide
SMILESCOc1cc(CN(CCc2ccccn2)C(=O)c2ccc(C)cc2)ccc1OCc1ccccc1.COc1cc(CN(CCc2ccccn2)C(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1.COc1cc(CN(CCc2ccccn2)C(=O)c2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1
InChIInChI=1S/C30H30N2O3.2C29H27N3O5/c1-23-11-14-26(15-12-23)30(33)32(19-17-27-10-6-7-18-31-27)21-25-13-16-28(29(20-25)34-2)35-22-24-8-4-3-5-9-24;1-36-28-19-23(14-15-27(28)37-21-22-9-3-2-4-10-22)20-31(18-16-24-11-7-8-17-30-24)29(33)25-12-5-6-13-26(25)32(34)35;1-36-28-18-23(13-14-27(28)37-21-22-8-3-2-4-9-22)20-31(17-15-25-11-5-6-16-30-25)29(33)24-10-7-12-26(19-24)32(34)35/h3-16,18,20H,17,19,21-22H2,1-2H3;2-15,17,19H,16,18,20-21H2,1H3;2-14,16,18-19H,15,17,20-21H2,1H3
InChIKeyVTSFJJDRXIKNAF-UHFFFAOYSA-N
MW1461.68 g/mol
LogP16.79
Rot. Bonds32

About N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methyl-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-nitro-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-nitro-N-(2-pyridin-2-ylethyl)benzamide

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methyl-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-nitro-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-nitro-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 161396856) has the molecular formula C88H84N8O13 and a molecular weight of 1461.68 g/mol. Its IUPAC name is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methyl-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-nitro-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-nitro-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methyl-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-nitro-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-nitro-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID161396856
Molecular FormulaC88H84N8O13
Molecular Weight1461.68 g/mol
Exact Mass1460.62
IUPAC NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methyl-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-nitro-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-nitro-N-(2-pyridin-2-ylethyl)benzamide
SMILESCOc1cc(CN(CCc2ccccn2)C(=O)c2ccc(C)cc2)ccc1OCc1ccccc1.COc1cc(CN(CCc2ccccn2)C(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1.COc1cc(CN(CCc2ccccn2)C(=O)c2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1
InChIInChI=1S/C30H30N2O3.2C29H27N3O5/c1-23-11-14-26(15-12-23)30(33)32(19-17-27-10-6-7-18-31-27)21-25-13-16-28(29(20-25)34-2)35-22-24-8-4-3-5-9-24;1-36-28-19-23(14-15-27(28)37-21-22-9-3-2-4-10-22)20-31(18-16-24-11-7-8-17-30-24)29(33)25-12-5-6-13-26(25)32(34)35;1-36-28-18-23(13-14-27(28)37-21-22-8-3-2-4-9-22)20-31(17-15-25-11-5-6-16-30-25)29(33)24-10-7-12-26(19-24)32(34)35/h3-16,18,20H,17,19,21-22H2,1-2H3;2-15,17,19H,16,18,20-21H2,1H3;2-14,16,18-19H,15,17,20-21H2,1H3
InChIKeyVTSFJJDRXIKNAF-UHFFFAOYSA-N
XLogP16.79
TPSA241.26 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds32
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001461.68
LogP ≤ 516.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methyl-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-nitro-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-nitro-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methyl-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-nitro-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-nitro-N-(2-pyridin-2-ylethyl)benzamide (CID 161396856) is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methyl-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-nitro-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-nitro-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methyl-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-nitro-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-nitro-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methyl-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-nitro-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-nitro-N-(2-pyridin-2-ylethyl)benzamide is COc1cc(CN(CCc2ccccn2)C(=O)c2ccc(C)cc2)ccc1OCc1ccccc1.COc1cc(CN(CCc2ccccn2)C(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1.COc1cc(CN(CCc2ccccn2)C(=O)c2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1.
What is the InChIKey of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methyl-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-nitro-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-nitro-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is VTSFJJDRXIKNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O3.2C29H27N3O5/c1-23-11-14-26(15-12-23)30(33)32(19-17-27-10-6-7-18-31-27)21-25-13-16-28(29(20-25)34-2)35-22-24-8-4-3-5-9-24;1-36-28-19-23(14-15-27(28)37-21-22-9-3-2-4-10-22)20-31(18-16-24-11-7-8-17-30-24)29(33)25-12-5-6-13-26(25)32(34)35;1-36-28-18-23(13-14-27(28)37-21-22-8-3-2-4-9-22)20-31(17-15-25-11-5-6-16-30-25)29(33)24-10-7-12-26(19-24)32(34)35/h3-16,18,20H,17,19,21-22H2,1-2H3;2-15,17,19H,16,18,20-21H2,1H3;2-14,16,18-19H,15,17,20-21H2,1H3.
What are the key properties of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methyl-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-nitro-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-nitro-N-(2-pyridin-2-ylethyl)benzamide?
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methyl-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-nitro-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-nitro-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 1461.68 g/mol, XLogP of 16.79, 32 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methyl-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-nitro-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-nitro-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 161396856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).