N-benzyl-2-[methyl-(3-propoxybenzoyl)amino]benzamide

C25H26N2O3 — CID 4960086

IUPACN-benzyl-2-[methyl-(3-propoxybenzoyl)amino]benzamide
SMILESCCCOc1cccc(C(=O)N(C)c2ccccc2C(=O)NCc2ccccc2)c1
InChIInChI=1S/C25H26N2O3/c1-3-16-30-21-13-9-12-20(17-21)25(29)27(2)23-15-8-7-14-22(23)24(28)26-18-19-10-5-4-6-11-19/h4-15,17H,3,16,18H2,1-2H3,(H,26,28)
InChIKeyLMBKPPGECUMVTG-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.68
Rot. Bonds8

About N-benzyl-2-[methyl-(3-propoxybenzoyl)amino]benzamide

N-benzyl-2-[methyl-(3-propoxybenzoyl)amino]benzamide (PubChem CID 4960086) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-benzyl-2-[methyl-(3-propoxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[methyl-(3-propoxybenzoyl)amino]benzamide
PubChem CID4960086
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-benzyl-2-[methyl-(3-propoxybenzoyl)amino]benzamide
SMILESCCCOc1cccc(C(=O)N(C)c2ccccc2C(=O)NCc2ccccc2)c1
InChIInChI=1S/C25H26N2O3/c1-3-16-30-21-13-9-12-20(17-21)25(29)27(2)23-15-8-7-14-22(23)24(28)26-18-19-10-5-4-6-11-19/h4-15,17H,3,16,18H2,1-2H3,(H,26,28)
InChIKeyLMBKPPGECUMVTG-UHFFFAOYSA-N
XLogP4.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-butoxybenzoyl)-methylamino]-N-(2-phenylethyl)benzamide
CID 4956550
N-benzyl-2-[(3-propoxybenzoyl)amino]benzamide
CID 4960084
2-[methyl-[3-(3-methylbutoxy)benzoyl]amino]-N-(2-phenylethyl)benzamide
CID 4981732
N-benzyl-2-[(2-butoxybenzoyl)-methylamino]benzamide
CID 4941063
N-[(4-aminophenyl)methyl]-3-propoxybenzamide
CID 62921372
N-[(3-hydroxyphenyl)methyl]-3-propoxybenzamide
CID 61151190
N,N-dimethyl-3-propoxybenzamide
CID 28639811
N-benzyl-2-[(3-ethoxybenzoyl)amino]benzamide
CID 4957453
N-benzyl-2-[[4-(2-methoxyethoxy)benzoyl]carbamothioyl-methylamino]benzamide
CID 17353821
N-[(4-propan-2-yloxyphenyl)methyl]-3-propoxybenzamide
CID 43911104
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
N-benzyl-2-[methyl-[2-(3-methylbutoxy)benzoyl]amino]benzamide
CID 4943560

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[methyl-(3-propoxybenzoyl)amino]benzamide?
The IUPAC name of N-benzyl-2-[methyl-(3-propoxybenzoyl)amino]benzamide (CID 4960086) is N-benzyl-2-[methyl-(3-propoxybenzoyl)amino]benzamide.
What is the SMILES notation for N-benzyl-2-[methyl-(3-propoxybenzoyl)amino]benzamide?
The canonical SMILES for N-benzyl-2-[methyl-(3-propoxybenzoyl)amino]benzamide is CCCOc1cccc(C(=O)N(C)c2ccccc2C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-2-[methyl-(3-propoxybenzoyl)amino]benzamide?
The InChIKey is LMBKPPGECUMVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-3-16-30-21-13-9-12-20(17-21)25(29)27(2)23-15-8-7-14-22(23)24(28)26-18-19-10-5-4-6-11-19/h4-15,17H,3,16,18H2,1-2H3,(H,26,28).
What are the key properties of N-benzyl-2-[methyl-(3-propoxybenzoyl)amino]benzamide?
N-benzyl-2-[methyl-(3-propoxybenzoyl)amino]benzamide has a molecular weight of 402.49 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[methyl-(3-propoxybenzoyl)amino]benzamide is sourced from PubChem (CID 4960086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).