N-[(4-methoxy-3-phenylmethoxyphenyl)-[(2-methylbenzoyl)amino]methyl]-2-methylbenzamide

C31H30N2O4 — CID 18890163

IUPACN-[(4-methoxy-3-phenylmethoxyphenyl)-[(2-methylbenzoyl)amino]methyl]-2-methylbenzamide
SMILESCOc1ccc(C(NC(=O)c2ccccc2C)NC(=O)c2ccccc2C)cc1OCc1ccccc1
InChIInChI=1S/C31H30N2O4/c1-21-11-7-9-15-25(21)30(34)32-29(33-31(35)26-16-10-8-12-22(26)2)24-17-18-27(36-3)28(19-24)37-20-23-13-5-4-6-14-23/h4-19,29H,20H2,1-3H3,(H,32,34)(H,33,35)
InChIKeyNVNXSNHBKFQTAN-UHFFFAOYSA-N
MW494.59 g/mol
LogP5.75
Rot. Bonds9

About N-[(4-methoxy-3-phenylmethoxyphenyl)-[(2-methylbenzoyl)amino]methyl]-2-methylbenzamide

N-[(4-methoxy-3-phenylmethoxyphenyl)-[(2-methylbenzoyl)amino]methyl]-2-methylbenzamide (PubChem CID 18890163) has the molecular formula C31H30N2O4 and a molecular weight of 494.59 g/mol. Its IUPAC name is N-[(4-methoxy-3-phenylmethoxyphenyl)-[(2-methylbenzoyl)amino]methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(4-methoxy-3-phenylmethoxyphenyl)-[(2-methylbenzoyl)amino]methyl]-2-methylbenzamide
PubChem CID18890163
Molecular FormulaC31H30N2O4
Molecular Weight494.59 g/mol
Exact Mass494.22
IUPAC NameN-[(4-methoxy-3-phenylmethoxyphenyl)-[(2-methylbenzoyl)amino]methyl]-2-methylbenzamide
SMILESCOc1ccc(C(NC(=O)c2ccccc2C)NC(=O)c2ccccc2C)cc1OCc1ccccc1
InChIInChI=1S/C31H30N2O4/c1-21-11-7-9-15-25(21)30(34)32-29(33-31(35)26-16-10-8-12-22(26)2)24-17-18-27(36-3)28(19-24)37-20-23-13-5-4-6-14-23/h4-19,29H,20H2,1-3H3,(H,32,34)(H,33,35)
InChIKeyNVNXSNHBKFQTAN-UHFFFAOYSA-N
XLogP5.75
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.59
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-[[(4-tert-butylbenzoyl)amino]-(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide
CID 18890174
N-[[(2,6-difluorobenzoyl)amino]-(3-methoxy-4-phenylmethoxyphenyl)methyl]-2,6-difluorobenzamide
CID 2421298
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
CID 2894493
(4-methoxy-3-phenylmethoxyphenyl)carbamic acid
CID 155170089
[acetyloxy-(4-methoxy-3-phenylmethoxyphenyl)methyl] acetate
CID 101183057
N-butan-2-yl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methylbenzamide
CID 42701836
tert-butyl N-[(1R)-2-hydroxy-1-(4-methoxy-3-phenylmethoxyphenyl)ethyl]carbamate
CID 11428749
ethyl (3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propanoate
CID 171213027
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
N-[benzamido-[4-methoxy-3-(3-methylbutoxy)phenyl]methyl]benzamide
CID 18890095
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171212981
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylbenzamide
CID 46649898

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-phenylmethoxyphenyl)-[(2-methylbenzoyl)amino]methyl]-2-methylbenzamide?
The IUPAC name of N-[(4-methoxy-3-phenylmethoxyphenyl)-[(2-methylbenzoyl)amino]methyl]-2-methylbenzamide (CID 18890163) is N-[(4-methoxy-3-phenylmethoxyphenyl)-[(2-methylbenzoyl)amino]methyl]-2-methylbenzamide.
What is the SMILES notation for N-[(4-methoxy-3-phenylmethoxyphenyl)-[(2-methylbenzoyl)amino]methyl]-2-methylbenzamide?
The canonical SMILES for N-[(4-methoxy-3-phenylmethoxyphenyl)-[(2-methylbenzoyl)amino]methyl]-2-methylbenzamide is COc1ccc(C(NC(=O)c2ccccc2C)NC(=O)c2ccccc2C)cc1OCc1ccccc1.
What is the InChIKey of N-[(4-methoxy-3-phenylmethoxyphenyl)-[(2-methylbenzoyl)amino]methyl]-2-methylbenzamide?
The InChIKey is NVNXSNHBKFQTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O4/c1-21-11-7-9-15-25(21)30(34)32-29(33-31(35)26-16-10-8-12-22(26)2)24-17-18-27(36-3)28(19-24)37-20-23-13-5-4-6-14-23/h4-19,29H,20H2,1-3H3,(H,32,34)(H,33,35).
What are the key properties of N-[(4-methoxy-3-phenylmethoxyphenyl)-[(2-methylbenzoyl)amino]methyl]-2-methylbenzamide?
N-[(4-methoxy-3-phenylmethoxyphenyl)-[(2-methylbenzoyl)amino]methyl]-2-methylbenzamide has a molecular weight of 494.59 g/mol, XLogP of 5.75, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-phenylmethoxyphenyl)-[(2-methylbenzoyl)amino]methyl]-2-methylbenzamide is sourced from PubChem (CID 18890163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).