N-methyl-4-(2-methylpentanoylamino)benzamide

C14H20N2O2 — CID 75981619

IUPACN-methyl-4-(2-methylpentanoylamino)benzamide
SMILESCCCC(C)C(=O)Nc1ccc(C(=O)NC)cc1
InChIInChI=1S/C14H20N2O2/c1-4-5-10(2)13(17)16-12-8-6-11(7-9-12)14(18)15-3/h6-10H,4-5H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyNBYMIKXDZXESTH-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.42
Rot. Bonds5

About N-methyl-4-(2-methylpentanoylamino)benzamide

N-methyl-4-(2-methylpentanoylamino)benzamide (PubChem CID 75981619) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-methyl-4-(2-methylpentanoylamino)benzamide.

Molecular Properties

Compound NameN-methyl-4-(2-methylpentanoylamino)benzamide
PubChem CID75981619
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-methyl-4-(2-methylpentanoylamino)benzamide
SMILESCCCC(C)C(=O)Nc1ccc(C(=O)NC)cc1
InChIInChI=1S/C14H20N2O2/c1-4-5-10(2)13(17)16-12-8-6-11(7-9-12)14(18)15-3/h6-10H,4-5H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyNBYMIKXDZXESTH-UHFFFAOYSA-N
XLogP2.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(4-acetamidophenyl)-2-methylpentanamide
CID 670216
[amino-[4-(2-methylpentanoylamino)phenyl]methylidene]azanium
CID 21349582
N-(4-hydroxyphenyl)-2-methylpentanamide
CID 43210200
N-(4-carbamothioylphenyl)-2-methylpentanamide
CID 43210162
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylpentanamide
CID 43210178
2-methyl-N-phenylpentanamide
CID 4627801
4-[[(2R)-2-aminopropanoyl]amino]-N-methylbenzamide
CID 78972443
N-[4-(bromomethyl)phenyl]-2-methylpentanamide
CID 114310848
4-(2-methylpropanoylamino)-N-[(2S)-pentan-2-yl]benzamide
CID 977274
4-(hexan-2-ylamino)-N-methylbenzamide
CID 43781053
4-(2-methylpropanoylamino)-N-[(2R)-pentan-2-yl]benzamide
CID 977275
4-[(3-amino-2-methylbutanoyl)amino]-N-methylbenzamide
CID 113416120

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylpentanoylamino)benzamide?
The IUPAC name of N-methyl-4-(2-methylpentanoylamino)benzamide (CID 75981619) is N-methyl-4-(2-methylpentanoylamino)benzamide.
What is the SMILES notation for N-methyl-4-(2-methylpentanoylamino)benzamide?
The canonical SMILES for N-methyl-4-(2-methylpentanoylamino)benzamide is CCCC(C)C(=O)Nc1ccc(C(=O)NC)cc1.
What is the InChIKey of N-methyl-4-(2-methylpentanoylamino)benzamide?
The InChIKey is NBYMIKXDZXESTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-5-10(2)13(17)16-12-8-6-11(7-9-12)14(18)15-3/h6-10H,4-5H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of N-methyl-4-(2-methylpentanoylamino)benzamide?
N-methyl-4-(2-methylpentanoylamino)benzamide has a molecular weight of 248.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylpentanoylamino)benzamide is sourced from PubChem (CID 75981619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).