3-[[2-(4-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride

C15H24ClN3O2 — CID 119737569

IUPAC3-[[2-(4-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride
SMILESCCC(C)NC(=O)CCNC(=O)Cc1ccc(N)cc1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-3-11(2)18-14(19)8-9-17-15(20)10-12-4-6-13(16)7-5-12;/h4-7,11H,3,8-10,16H2,1-2H3,(H,17,20)(H,18,19);1H
InChIKeyXSZLKGKYKMCINC-UHFFFAOYSA-N
MW313.83 g/mol
LogP1.65
Rot. Bonds7

About 3-[[2-(4-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride

3-[[2-(4-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride (PubChem CID 119737569) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is 3-[[2-(4-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-[[2-(4-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride
PubChem CID119737569
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Name3-[[2-(4-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride
SMILESCCC(C)NC(=O)CCNC(=O)Cc1ccc(N)cc1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-3-11(2)18-14(19)8-9-17-15(20)10-12-4-6-13(16)7-5-12;/h4-7,11H,3,8-10,16H2,1-2H3,(H,17,20)(H,18,19);1H
InChIKeyXSZLKGKYKMCINC-UHFFFAOYSA-N
XLogP1.65
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[[2-(4-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride 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

3-[[2-(2-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide
CID 61140780
5-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methoxybenzamide
CID 61138881
4-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide;hydrochloride
CID 120560806
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-hydroxypentanamide
CID 79192929
2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]propanamide;hydrochloride
CID 119297115
3-(4-aminophenyl)-N-pentan-2-ylpropanamide
CID 43309033
2-(4-aminophenyl)-N-(2-ethylbutyl)acetamide
CID 113266165
3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide
CID 61140590
2-(4-aminophenyl)-N-(6-methylheptan-2-yl)acetamide;hydrochloride
CID 119673337
2-(4-aminophenyl)-N-(2-methylpropyl)acetamide
CID 16776382
4-amino-N-butan-2-ylbenzamide
CID 3503917
2-[(4-aminophenyl)methylsulfonyl]-N-butan-2-ylacetamide
CID 82177625

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride?
The IUPAC name of 3-[[2-(4-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride (CID 119737569) is 3-[[2-(4-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride.
What is the SMILES notation for 3-[[2-(4-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride?
The canonical SMILES for 3-[[2-(4-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride is CCC(C)NC(=O)CCNC(=O)Cc1ccc(N)cc1.Cl.
What is the InChIKey of 3-[[2-(4-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride?
The InChIKey is XSZLKGKYKMCINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.ClH/c1-3-11(2)18-14(19)8-9-17-15(20)10-12-4-6-13(16)7-5-12;/h4-7,11H,3,8-10,16H2,1-2H3,(H,17,20)(H,18,19);1H.
What are the key properties of 3-[[2-(4-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride?
3-[[2-(4-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride is sourced from PubChem (CID 119737569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).