N-[4-[(2-acetamidopropanoylamino)methyl]phenyl]-2-methylpropanamide

C16H23N3O3 — CID 42936966

IUPACN-[4-[(2-acetamidopropanoylamino)methyl]phenyl]-2-methylpropanamide
SMILESCC(=O)NC(C)C(=O)NCc1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C16H23N3O3/c1-10(2)15(21)19-14-7-5-13(6-8-14)9-17-16(22)11(3)18-12(4)20/h5-8,10-11H,9H2,1-4H3,(H,17,22)(H,18,20)(H,19,21)
InChIKeyBPSNCZRPBBJPNP-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.42
Rot. Bonds6

About N-[4-[(2-acetamidopropanoylamino)methyl]phenyl]-2-methylpropanamide

N-[4-[(2-acetamidopropanoylamino)methyl]phenyl]-2-methylpropanamide (PubChem CID 42936966) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[4-[(2-acetamidopropanoylamino)methyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[(2-acetamidopropanoylamino)methyl]phenyl]-2-methylpropanamide
PubChem CID42936966
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[4-[(2-acetamidopropanoylamino)methyl]phenyl]-2-methylpropanamide
SMILESCC(=O)NC(C)C(=O)NCc1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C16H23N3O3/c1-10(2)15(21)19-14-7-5-13(6-8-14)9-17-16(22)11(3)18-12(4)20/h5-8,10-11H,9H2,1-4H3,(H,17,22)(H,18,20)(H,19,21)
InChIKeyBPSNCZRPBBJPNP-UHFFFAOYSA-N
XLogP1.42
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[4-[(2-acetamidopropanoylamino)methyl]phenyl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119277416
N-[4-[(2-aminopropanoylamino)methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119277407
2-methyl-3-[[4-(2-methylpropanoylamino)phenyl]methylamino]-3-oxopropanoic acid
CID 114897148
3-amino-2-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]propanamide
CID 62668740
(2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide
CID 167024593
2-amino-3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]butanamide;hydrochloride
CID 119277422
N-[4-[(4-acetamidophenyl)methyl]phenyl]-2-methylpropanamide
CID 130256848
(2S)-N-[(4-acetamidophenyl)methyl]-2-aminopropanamide
CID 78969011
2-acetamido-N-[4-(cyanomethyl)phenyl]propanamide
CID 134052820
N-[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 18151252
(2R)-N-[(4-acetamidophenyl)methyl]-2-amino-3-methylbutanamide
CID 79012217
4-[(4-acetamidophenyl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496555

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-acetamidopropanoylamino)methyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[(2-acetamidopropanoylamino)methyl]phenyl]-2-methylpropanamide (CID 42936966) is N-[4-[(2-acetamidopropanoylamino)methyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[(2-acetamidopropanoylamino)methyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[(2-acetamidopropanoylamino)methyl]phenyl]-2-methylpropanamide is CC(=O)NC(C)C(=O)NCc1ccc(NC(=O)C(C)C)cc1.
What is the InChIKey of N-[4-[(2-acetamidopropanoylamino)methyl]phenyl]-2-methylpropanamide?
The InChIKey is BPSNCZRPBBJPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-10(2)15(21)19-14-7-5-13(6-8-14)9-17-16(22)11(3)18-12(4)20/h5-8,10-11H,9H2,1-4H3,(H,17,22)(H,18,20)(H,19,21).
What are the key properties of N-[4-[(2-acetamidopropanoylamino)methyl]phenyl]-2-methylpropanamide?
N-[4-[(2-acetamidopropanoylamino)methyl]phenyl]-2-methylpropanamide has a molecular weight of 305.38 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-acetamidopropanoylamino)methyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 42936966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).