N-[benzamido-[4-methoxy-3-(3-methylbutoxy)phenyl]methyl]benzamide

C27H30N2O4 — CID 18890095

IUPACN-[benzamido-[4-methoxy-3-(3-methylbutoxy)phenyl]methyl]benzamide
SMILESCOc1ccc(C(NC(=O)c2ccccc2)NC(=O)c2ccccc2)cc1OCCC(C)C
InChIInChI=1S/C27H30N2O4/c1-19(2)16-17-33-24-18-22(14-15-23(24)32-3)25(28-26(30)20-10-6-4-7-11-20)29-27(31)21-12-8-5-9-13-21/h4-15,18-19,25H,16-17H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyOCJZQACONLBFAH-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.98
Rot. Bonds10

About N-[benzamido-[4-methoxy-3-(3-methylbutoxy)phenyl]methyl]benzamide

N-[benzamido-[4-methoxy-3-(3-methylbutoxy)phenyl]methyl]benzamide (PubChem CID 18890095) has the molecular formula C27H30N2O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[benzamido-[4-methoxy-3-(3-methylbutoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[benzamido-[4-methoxy-3-(3-methylbutoxy)phenyl]methyl]benzamide
PubChem CID18890095
Molecular FormulaC27H30N2O4
Molecular Weight446.55 g/mol
Exact Mass446.22
IUPAC NameN-[benzamido-[4-methoxy-3-(3-methylbutoxy)phenyl]methyl]benzamide
SMILESCOc1ccc(C(NC(=O)c2ccccc2)NC(=O)c2ccccc2)cc1OCCC(C)C
InChIInChI=1S/C27H30N2O4/c1-19(2)16-17-33-24-18-22(14-15-23(24)32-3)25(28-26(30)20-10-6-4-7-11-20)29-27(31)21-12-8-5-9-13-21/h4-15,18-19,25H,16-17H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyOCJZQACONLBFAH-UHFFFAOYSA-N
XLogP4.98
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.98
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-fluoro-N-[[(4-fluorobenzoyl)amino]-[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide
CID 18839435
N-[[4-methoxy-3-(3-methylbutoxy)phenyl]-[[2-(4-methoxyphenyl)acetyl]amino]methyl]-2-(4-methoxyphenyl)acetamide
CID 18890110
4-tert-butyl-N-[[(4-tert-butylbenzoyl)amino]-(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide
CID 18890174
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 7311220
methyl 3-(3,4-dimethoxyphenyl)-3-[[4-(3-methylbutoxy)benzoyl]amino]propanoate
CID 46657435
N-[acetamido-(4-methoxy-3-propoxyphenyl)methyl]acetamide
CID 18889979
3-methylbutyl (2S)-2-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 40551436
4-tert-butyl-N-[[(4-tert-butylbenzoyl)amino]-(3-methoxy-4-propoxyphenyl)methyl]benzamide
CID 18839441
N-[(3-methoxy-4-pentoxyphenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide
CID 5245031
N-[(4-methoxy-3-propan-2-yloxyphenyl)-[(4-methylbenzoyl)amino]methyl]-4-methylbenzamide
CID 18890052
N-[(4-methoxy-3-phenylmethoxyphenyl)-[(2-methylbenzoyl)amino]methyl]-2-methylbenzamide
CID 18890163
3-bromo-N-[[(3-bromobenzoyl)amino]-(4-heptoxy-3-methoxyphenyl)methyl]benzamide
CID 5209327

Frequently Asked Questions

What is the IUPAC name of N-[benzamido-[4-methoxy-3-(3-methylbutoxy)phenyl]methyl]benzamide?
The IUPAC name of N-[benzamido-[4-methoxy-3-(3-methylbutoxy)phenyl]methyl]benzamide (CID 18890095) is N-[benzamido-[4-methoxy-3-(3-methylbutoxy)phenyl]methyl]benzamide.
What is the SMILES notation for N-[benzamido-[4-methoxy-3-(3-methylbutoxy)phenyl]methyl]benzamide?
The canonical SMILES for N-[benzamido-[4-methoxy-3-(3-methylbutoxy)phenyl]methyl]benzamide is COc1ccc(C(NC(=O)c2ccccc2)NC(=O)c2ccccc2)cc1OCCC(C)C.
What is the InChIKey of N-[benzamido-[4-methoxy-3-(3-methylbutoxy)phenyl]methyl]benzamide?
The InChIKey is OCJZQACONLBFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4/c1-19(2)16-17-33-24-18-22(14-15-23(24)32-3)25(28-26(30)20-10-6-4-7-11-20)29-27(31)21-12-8-5-9-13-21/h4-15,18-19,25H,16-17H2,1-3H3,(H,28,30)(H,29,31).
What are the key properties of N-[benzamido-[4-methoxy-3-(3-methylbutoxy)phenyl]methyl]benzamide?
N-[benzamido-[4-methoxy-3-(3-methylbutoxy)phenyl]methyl]benzamide has a molecular weight of 446.55 g/mol, XLogP of 4.98, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[benzamido-[4-methoxy-3-(3-methylbutoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 18890095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).