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

C29H34N2O4 — CID 5245031

IUPACN-[(3-methoxy-4-pentoxyphenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide
SMILESCCCCCOc1ccc(C(NC(=O)c2cccc(C)c2)NC(=O)c2cccc(C)c2)cc1OC
InChIInChI=1S/C29H34N2O4/c1-5-6-7-16-35-25-15-14-22(19-26(25)34-4)27(30-28(32)23-12-8-10-20(2)17-23)31-29(33)24-13-9-11-21(3)18-24/h8-15,17-19,27H,5-7,16H2,1-4H3,(H,30,32)(H,31,33)
InChIKeyYVMHBUSMFRTREH-UHFFFAOYSA-N
MW474.60 g/mol
LogP5.74
Rot. Bonds11

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

N-[(3-methoxy-4-pentoxyphenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide (PubChem CID 5245031) has the molecular formula C29H34N2O4 and a molecular weight of 474.60 g/mol. Its IUPAC name is N-[(3-methoxy-4-pentoxyphenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-pentoxyphenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide
PubChem CID5245031
Molecular FormulaC29H34N2O4
Molecular Weight474.60 g/mol
Exact Mass474.25
IUPAC NameN-[(3-methoxy-4-pentoxyphenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide
SMILESCCCCCOc1ccc(C(NC(=O)c2cccc(C)c2)NC(=O)c2cccc(C)c2)cc1OC
InChIInChI=1S/C29H34N2O4/c1-5-6-7-16-35-25-15-14-22(19-26(25)34-4)27(30-28(32)23-12-8-10-20(2)17-23)31-29(33)24-13-9-11-21(3)18-24/h8-15,17-19,27H,5-7,16H2,1-4H3,(H,30,32)(H,31,33)
InChIKeyYVMHBUSMFRTREH-UHFFFAOYSA-N
XLogP5.74
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[[(3-bromobenzoyl)amino]-(4-heptoxy-3-methoxyphenyl)methyl]benzamide
CID 5209327
4-fluoro-N-[[(4-fluorobenzoyl)amino]-(4-heptoxy-3-methoxyphenyl)methyl]benzamide
CID 18839438
4-bromo-N-[[(4-bromobenzoyl)amino]-(4-heptoxy-3-methoxyphenyl)methyl]benzamide
CID 5209328
4-chloro-N-[[(4-chlorobenzoyl)amino]-(3-methoxy-4-nonoxyphenyl)methyl]benzamide
CID 18839362
N-[acetamido-(4-hexoxy-3-methoxyphenyl)methyl]acetamide
CID 2139822
3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide
CID 55747285
N-[(4-heptoxy-3-methoxyphenyl)-[(4-nitrobenzoyl)amino]methyl]-4-nitrobenzamide
CID 5209334
4-tert-butyl-N-[[(4-tert-butylbenzoyl)amino]-(3-methoxy-4-propoxyphenyl)methyl]benzamide
CID 18839441
N-[(4-hexoxy-3-methoxyphenyl)-(3-methylbutanoylamino)methyl]-3-methylbutanamide
CID 5258983
N-[(3-hexoxy-4-methoxyphenyl)-(pentanoylamino)methyl]pentanamide
CID 18890129
N-[(3-heptoxy-4-methoxyphenyl)-(pentanoylamino)methyl]pentanamide
CID 18890153
N-[1-[(3-methoxy-4-propoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 46425068

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-pentoxyphenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide?
The IUPAC name of N-[(3-methoxy-4-pentoxyphenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide (CID 5245031) is N-[(3-methoxy-4-pentoxyphenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide.
What is the SMILES notation for N-[(3-methoxy-4-pentoxyphenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide?
The canonical SMILES for N-[(3-methoxy-4-pentoxyphenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide is CCCCCOc1ccc(C(NC(=O)c2cccc(C)c2)NC(=O)c2cccc(C)c2)cc1OC.
What is the InChIKey of N-[(3-methoxy-4-pentoxyphenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide?
The InChIKey is YVMHBUSMFRTREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O4/c1-5-6-7-16-35-25-15-14-22(19-26(25)34-4)27(30-28(32)23-12-8-10-20(2)17-23)31-29(33)24-13-9-11-21(3)18-24/h8-15,17-19,27H,5-7,16H2,1-4H3,(H,30,32)(H,31,33).
What are the key properties of N-[(3-methoxy-4-pentoxyphenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide?
N-[(3-methoxy-4-pentoxyphenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide has a molecular weight of 474.60 g/mol, XLogP of 5.74, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-pentoxyphenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide is sourced from PubChem (CID 5245031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).