N-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-piperidin-2-ylethyl)benzenesulfonamide;N-[(4-methylphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide

C79H92N6O8S — CID 160815166

IUPACN-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-piperidin-2-ylethyl)benzenesulfonamide;N-[(4-methylphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide
SMILESCOc1cc(CN(CCC2CCCCN2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1.COc1ccc(CN(CCc2ccccn2)C(=O)CCCc2ccccc2)cc1OC.Cc1ccc(CN(CCc2ccccn2)C(=O)CCCc2ccccc2)cc1
InChIInChI=1S/C28H34N2O4S.C26H30N2O3.C25H28N2O/c1-33-28-20-24(15-16-27(28)34-22-23-10-4-2-5-11-23)21-30(19-17-25-12-8-9-18-29-25)35(31,32)26-13-6-3-7-14-26;1-30-24-15-14-22(19-25(24)31-2)20-28(18-16-23-12-6-7-17-27-23)26(29)13-8-11-21-9-4-3-5-10-21;1-21-13-15-23(16-14-21)20-27(19-17-24-11-5-6-18-26-24)25(28)12-7-10-22-8-3-2-4-9-22/h2-7,10-11,13-16,20,25,29H,8-9,12,17-19,21-22H2,1H3;3-7,9-10,12,14-15,17,19H,8,11,13,16,18,20H2,1-2H3;2-6,8-9,11,13-16,18H,7,10,12,17,19-20H2,1H3
InChIKeySEUQIHPLNDFXMU-UHFFFAOYSA-N
MW1285.71 g/mol
LogP14.67
Rot. Bonds31

About N-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-piperidin-2-ylethyl)benzenesulfonamide;N-[(4-methylphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide

N-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-piperidin-2-ylethyl)benzenesulfonamide;N-[(4-methylphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide (PubChem CID 160815166) has the molecular formula C79H92N6O8S and a molecular weight of 1285.71 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-piperidin-2-ylethyl)benzenesulfonamide;N-[(4-methylphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-piperidin-2-ylethyl)benzenesulfonamide;N-[(4-methylphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide
PubChem CID160815166
Molecular FormulaC79H92N6O8S
Molecular Weight1285.71 g/mol
Exact Mass1284.67
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-piperidin-2-ylethyl)benzenesulfonamide;N-[(4-methylphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide
SMILESCOc1cc(CN(CCC2CCCCN2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1.COc1ccc(CN(CCc2ccccn2)C(=O)CCCc2ccccc2)cc1OC.Cc1ccc(CN(CCc2ccccn2)C(=O)CCCc2ccccc2)cc1
InChIInChI=1S/C28H34N2O4S.C26H30N2O3.C25H28N2O/c1-33-28-20-24(15-16-27(28)34-22-23-10-4-2-5-11-23)21-30(19-17-25-12-8-9-18-29-25)35(31,32)26-13-6-3-7-14-26;1-30-24-15-14-22(19-25(24)31-2)20-28(18-16-23-12-6-7-17-27-23)26(29)13-8-11-21-9-4-3-5-10-21;1-21-13-15-23(16-14-21)20-27(19-17-24-11-5-6-18-26-24)25(28)12-7-10-22-8-3-2-4-9-22/h2-7,10-11,13-16,20,25,29H,8-9,12,17-19,21-22H2,1H3;3-7,9-10,12,14-15,17,19H,8,11,13,16,18,20H2,1-2H3;2-6,8-9,11,13-16,18H,7,10,12,17,19-20H2,1H3
InChIKeySEUQIHPLNDFXMU-UHFFFAOYSA-N
XLogP14.67
TPSA152.73 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds31
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001285.71
LogP ≤ 514.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze N-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-piperidin-2-ylethyl)benzenesulfonamide;N-[(4-methylphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-piperidin-2-ylethyl)benzenesulfonamide;N-[(4-methylphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-piperidin-2-ylethyl)benzenesulfonamide;N-[(4-methylphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide (CID 160815166) is N-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-piperidin-2-ylethyl)benzenesulfonamide;N-[(4-methylphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-piperidin-2-ylethyl)benzenesulfonamide;N-[(4-methylphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-piperidin-2-ylethyl)benzenesulfonamide;N-[(4-methylphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide is COc1cc(CN(CCC2CCCCN2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1.COc1ccc(CN(CCc2ccccn2)C(=O)CCCc2ccccc2)cc1OC.Cc1ccc(CN(CCc2ccccn2)C(=O)CCCc2ccccc2)cc1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-piperidin-2-ylethyl)benzenesulfonamide;N-[(4-methylphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide?
The InChIKey is SEUQIHPLNDFXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O4S.C26H30N2O3.C25H28N2O/c1-33-28-20-24(15-16-27(28)34-22-23-10-4-2-5-11-23)21-30(19-17-25-12-8-9-18-29-25)35(31,32)26-13-6-3-7-14-26;1-30-24-15-14-22(19-25(24)31-2)20-28(18-16-23-12-6-7-17-27-23)26(29)13-8-11-21-9-4-3-5-10-21;1-21-13-15-23(16-14-21)20-27(19-17-24-11-5-6-18-26-24)25(28)12-7-10-22-8-3-2-4-9-22/h2-7,10-11,13-16,20,25,29H,8-9,12,17-19,21-22H2,1H3;3-7,9-10,12,14-15,17,19H,8,11,13,16,18,20H2,1-2H3;2-6,8-9,11,13-16,18H,7,10,12,17,19-20H2,1H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-piperidin-2-ylethyl)benzenesulfonamide;N-[(4-methylphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide?
N-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-piperidin-2-ylethyl)benzenesulfonamide;N-[(4-methylphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide has a molecular weight of 1285.71 g/mol, XLogP of 14.67, 31 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-piperidin-2-ylethyl)benzenesulfonamide;N-[(4-methylphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide is sourced from PubChem (CID 160815166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).