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

C27H30N2O3 — CID 4943560

IUPACN-benzyl-2-[methyl-[2-(3-methylbutoxy)benzoyl]amino]benzamide
SMILESCC(C)CCOc1ccccc1C(=O)N(C)c1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C27H30N2O3/c1-20(2)17-18-32-25-16-10-8-14-23(25)27(31)29(3)24-15-9-7-13-22(24)26(30)28-19-21-11-5-4-6-12-21/h4-16,20H,17-19H2,1-3H3,(H,28,30)
InChIKeyAIHKMQYDIJRJGT-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.32
Rot. Bonds9

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

N-benzyl-2-[methyl-[2-(3-methylbutoxy)benzoyl]amino]benzamide (PubChem CID 4943560) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-benzyl-2-[methyl-[2-(3-methylbutoxy)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[methyl-[2-(3-methylbutoxy)benzoyl]amino]benzamide
PubChem CID4943560
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC NameN-benzyl-2-[methyl-[2-(3-methylbutoxy)benzoyl]amino]benzamide
SMILESCC(C)CCOc1ccccc1C(=O)N(C)c1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C27H30N2O3/c1-20(2)17-18-32-25-16-10-8-14-23(25)27(31)29(3)24-15-9-7-13-22(24)26(30)28-19-21-11-5-4-6-12-21/h4-16,20H,17-19H2,1-3H3,(H,28,30)
InChIKeyAIHKMQYDIJRJGT-UHFFFAOYSA-N
XLogP5.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(2-butoxybenzoyl)-methylamino]benzamide
CID 4941063
N-benzyl-2-[methyl-[(2-pentoxybenzoyl)carbamothioyl]amino]benzamide
CID 4947172
2-[methyl-[3-(3-methylbutoxy)benzoyl]amino]-N-(2-phenylethyl)benzamide
CID 4981732
N-benzyl-2-[methyl(3-phenylpropanoyl)amino]benzamide
CID 3609594
N-benzyl-2-[methyl-(3-propoxybenzoyl)amino]benzamide
CID 4960086
N-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 4944758
N-benzyl-2-[[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-methylamino]benzamide
CID 9297562
N'-benzoyl-2-(3-methylbutoxy)benzohydrazide
CID 4944041
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
N-benzyl-N-(2-cyanoethyl)-2-(3-methylbutoxy)benzamide
CID 43911713
2-(3-methylbutoxy)-N-(pyridin-3-ylmethylcarbamothioyl)benzamide
CID 17199820
2-[2-(3-methylbutoxy)ethoxy]benzoic acid
CID 43532277

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[methyl-[2-(3-methylbutoxy)benzoyl]amino]benzamide?
The IUPAC name of N-benzyl-2-[methyl-[2-(3-methylbutoxy)benzoyl]amino]benzamide (CID 4943560) is N-benzyl-2-[methyl-[2-(3-methylbutoxy)benzoyl]amino]benzamide.
What is the SMILES notation for N-benzyl-2-[methyl-[2-(3-methylbutoxy)benzoyl]amino]benzamide?
The canonical SMILES for N-benzyl-2-[methyl-[2-(3-methylbutoxy)benzoyl]amino]benzamide is CC(C)CCOc1ccccc1C(=O)N(C)c1ccccc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[methyl-[2-(3-methylbutoxy)benzoyl]amino]benzamide?
The InChIKey is AIHKMQYDIJRJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-20(2)17-18-32-25-16-10-8-14-23(25)27(31)29(3)24-15-9-7-13-22(24)26(30)28-19-21-11-5-4-6-12-21/h4-16,20H,17-19H2,1-3H3,(H,28,30).
What are the key properties of N-benzyl-2-[methyl-[2-(3-methylbutoxy)benzoyl]amino]benzamide?
N-benzyl-2-[methyl-[2-(3-methylbutoxy)benzoyl]amino]benzamide has a molecular weight of 430.55 g/mol, XLogP of 5.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[methyl-[2-(3-methylbutoxy)benzoyl]amino]benzamide is sourced from PubChem (CID 4943560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).