N-benzyl-N-methyl-2-[[4-(pentanoylamino)benzoyl]amino]benzamide

C27H29N3O3 — CID 17312196

IUPACN-benzyl-N-methyl-2-[[4-(pentanoylamino)benzoyl]amino]benzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C27H29N3O3/c1-3-4-14-25(31)28-22-17-15-21(16-18-22)26(32)29-24-13-9-8-12-23(24)27(33)30(2)19-20-10-6-5-7-11-20/h5-13,15-18H,3-4,14,19H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyDUMZBYRUDMZATL-UHFFFAOYSA-N
MW443.55 g/mol
LogP5.34
Rot. Bonds9

About N-benzyl-N-methyl-2-[[4-(pentanoylamino)benzoyl]amino]benzamide

N-benzyl-N-methyl-2-[[4-(pentanoylamino)benzoyl]amino]benzamide (PubChem CID 17312196) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[[4-(pentanoylamino)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[[4-(pentanoylamino)benzoyl]amino]benzamide
PubChem CID17312196
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC NameN-benzyl-N-methyl-2-[[4-(pentanoylamino)benzoyl]amino]benzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C27H29N3O3/c1-3-4-14-25(31)28-22-17-15-21(16-18-22)26(32)29-24-13-9-8-12-23(24)27(33)30(2)19-20-10-6-5-7-11-20/h5-13,15-18H,3-4,14,19H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyDUMZBYRUDMZATL-UHFFFAOYSA-N
XLogP5.34
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 4937393
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N-benzyl-2-(hexanoylcarbamothioylamino)-N-methylbenzamide
CID 4954109
2-benzamido-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 32892148
N-benzyl-2-[(4-heptoxybenzoyl)carbamothioylamino]-N-methylbenzamide
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N-benzyl-2-[(4-chlorobenzoyl)carbamothioylamino]-N-methylbenzamide
CID 4937543
N-benzyl-N-methyl-2-(propanoylcarbamothioylamino)benzamide
CID 4937547
N-[4-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17154007
4-(dodecanoylamino)-N-phenylbenzamide
CID 5109500
N-[2-[benzyl(methyl)carbamoyl]phenyl]naphthalene-1-carboxamide
CID 30337138
4-N-benzyl-4-N-methyl-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109047105
N-(2-chlorophenyl)-4-(octanoylamino)benzamide
CID 171980600

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[[4-(pentanoylamino)benzoyl]amino]benzamide?
The IUPAC name of N-benzyl-N-methyl-2-[[4-(pentanoylamino)benzoyl]amino]benzamide (CID 17312196) is N-benzyl-N-methyl-2-[[4-(pentanoylamino)benzoyl]amino]benzamide.
What is the SMILES notation for N-benzyl-N-methyl-2-[[4-(pentanoylamino)benzoyl]amino]benzamide?
The canonical SMILES for N-benzyl-N-methyl-2-[[4-(pentanoylamino)benzoyl]amino]benzamide is CCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)N(C)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-methyl-2-[[4-(pentanoylamino)benzoyl]amino]benzamide?
The InChIKey is DUMZBYRUDMZATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-3-4-14-25(31)28-22-17-15-21(16-18-22)26(32)29-24-13-9-8-12-23(24)27(33)30(2)19-20-10-6-5-7-11-20/h5-13,15-18H,3-4,14,19H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of N-benzyl-N-methyl-2-[[4-(pentanoylamino)benzoyl]amino]benzamide?
N-benzyl-N-methyl-2-[[4-(pentanoylamino)benzoyl]amino]benzamide has a molecular weight of 443.55 g/mol, XLogP of 5.34, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[[4-(pentanoylamino)benzoyl]amino]benzamide is sourced from PubChem (CID 17312196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).