3-acetamido-N-(1-aminohexan-2-yl)-3-(4-methylphenyl)propanamide

C18H29N3O2 — CID 119668025

IUPAC3-acetamido-N-(1-aminohexan-2-yl)-3-(4-methylphenyl)propanamide
SMILESCCCCC(CN)NC(=O)CC(NC(C)=O)c1ccc(C)cc1
InChIInChI=1S/C18H29N3O2/c1-4-5-6-16(12-19)21-18(23)11-17(20-14(3)22)15-9-7-13(2)8-10-15/h7-10,16-17H,4-6,11-12,19H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyKORDWJOOFQGSSM-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.20
Rot. Bonds9

About 3-acetamido-N-(1-aminohexan-2-yl)-3-(4-methylphenyl)propanamide

3-acetamido-N-(1-aminohexan-2-yl)-3-(4-methylphenyl)propanamide (PubChem CID 119668025) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-acetamido-N-(1-aminohexan-2-yl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-(1-aminohexan-2-yl)-3-(4-methylphenyl)propanamide
PubChem CID119668025
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name3-acetamido-N-(1-aminohexan-2-yl)-3-(4-methylphenyl)propanamide
SMILESCCCCC(CN)NC(=O)CC(NC(C)=O)c1ccc(C)cc1
InChIInChI=1S/C18H29N3O2/c1-4-5-6-16(12-19)21-18(23)11-17(20-14(3)22)15-9-7-13(2)8-10-15/h7-10,16-17H,4-6,11-12,19H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyKORDWJOOFQGSSM-UHFFFAOYSA-N
XLogP2.20
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-acetamido-N-(1-aminohexan-2-yl)-3-(4-methylphenyl)propanamide 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

(2S)-2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]propanoic acid
CID 119238260
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198
3-acetamido-N-(3-aminobutyl)-3-(4-methylphenyl)propanamide
CID 119498760
3-acetamido-N-[3-(methylamino)propyl]-3-(4-methylphenyl)propanamide
CID 119433343
3-acetamido-N-(1-amino-4-methylpentan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride
CID 119587703
3-acetamido-N-[3-(aminomethyl)pentan-3-yl]-3-(4-methylphenyl)propanamide;hydrochloride
CID 119571395
3-acetamido-N-(2-amino-1-naphthalen-2-ylethyl)-3-(4-methylphenyl)propanamide
CID 120567799
(3S)-3-acetamido-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(4-methylphenyl)propanamide
CID 33275005
3-acetamido-N-(2-amino-1-naphthalen-2-ylethyl)-3-(4-methylphenyl)propanamide;hydrochloride
CID 120567798
N-[1-(4-chlorophenyl)pentyl]acetamide
CID 23652178
N-(1-aminohexan-2-yl)-3-phenylpentanamide;hydrochloride
CID 119668250
3-acetamido-N-[2-(ethylamino)ethyl]-3-(4-methylphenyl)propanamide
CID 119508593

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(1-aminohexan-2-yl)-3-(4-methylphenyl)propanamide?
The IUPAC name of 3-acetamido-N-(1-aminohexan-2-yl)-3-(4-methylphenyl)propanamide (CID 119668025) is 3-acetamido-N-(1-aminohexan-2-yl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-(1-aminohexan-2-yl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-(1-aminohexan-2-yl)-3-(4-methylphenyl)propanamide is CCCCC(CN)NC(=O)CC(NC(C)=O)c1ccc(C)cc1.
What is the InChIKey of 3-acetamido-N-(1-aminohexan-2-yl)-3-(4-methylphenyl)propanamide?
The InChIKey is KORDWJOOFQGSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-4-5-6-16(12-19)21-18(23)11-17(20-14(3)22)15-9-7-13(2)8-10-15/h7-10,16-17H,4-6,11-12,19H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 3-acetamido-N-(1-aminohexan-2-yl)-3-(4-methylphenyl)propanamide?
3-acetamido-N-(1-aminohexan-2-yl)-3-(4-methylphenyl)propanamide has a molecular weight of 319.45 g/mol, XLogP of 2.20, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(1-aminohexan-2-yl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 119668025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).