acetic acid;N-[3-(propan-2-ylamino)phenyl]acetamide

C13H20N2O3 — CID 174839462

IUPACacetic acid;N-[3-(propan-2-ylamino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(C)C)c1.CC(=O)O
InChIInChI=1S/C11H16N2O.C2H4O2/c1-8(2)12-10-5-4-6-11(7-10)13-9(3)14;1-2(3)4/h4-8,12H,1-3H3,(H,13,14);1H3,(H,3,4)
InChIKeyKCGUOPBTZHOLAV-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.56
Rot. Bonds3

About acetic acid;N-[3-(propan-2-ylamino)phenyl]acetamide

acetic acid;N-[3-(propan-2-ylamino)phenyl]acetamide (PubChem CID 174839462) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is acetic acid;N-[3-(propan-2-ylamino)phenyl]acetamide.

Molecular Properties

Compound Nameacetic acid;N-[3-(propan-2-ylamino)phenyl]acetamide
PubChem CID174839462
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nameacetic acid;N-[3-(propan-2-ylamino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(C)C)c1.CC(=O)O
InChIInChI=1S/C11H16N2O.C2H4O2/c1-8(2)12-10-5-4-6-11(7-10)13-9(3)14;1-2(3)4/h4-8,12H,1-3H3,(H,13,14);1H3,(H,3,4)
InChIKeyKCGUOPBTZHOLAV-UHFFFAOYSA-N
XLogP2.56
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze acetic acid;N-[3-(propan-2-ylamino)phenyl]acetamide 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-[3-(1-phenylethylamino)phenyl]acetamide
CID 43178472
2-(3-acetamidoanilino)-N-propan-2-ylpropanamide
CID 43084802
N-[3-(3-methylpentan-2-ylamino)phenyl]acetamide
CID 43201157
N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 28620650
methyl butaneperoxoate;N-[3-(propan-2-ylamino)phenyl]acetamide
CID 174839459
N-[3-[(3-methyl-1-phenylbutyl)amino]phenyl]acetamide
CID 43824801
N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278
N-(3-acetamidophenyl)-2-aminopropanamide
CID 24711020
2-(3-acetamidoanilino)-N-cyclopentylpropanamide
CID 43083456
N-[3-[[6-(propan-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112854630
N-[3-[1-(4-iodophenyl)ethylamino]phenyl]acetamide
CID 43761396
N-[3-(1-cyanopropan-2-ylamino)phenyl]acetamide
CID 60914306

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-[3-(propan-2-ylamino)phenyl]acetamide?
The IUPAC name of acetic acid;N-[3-(propan-2-ylamino)phenyl]acetamide (CID 174839462) is acetic acid;N-[3-(propan-2-ylamino)phenyl]acetamide.
What is the SMILES notation for acetic acid;N-[3-(propan-2-ylamino)phenyl]acetamide?
The canonical SMILES for acetic acid;N-[3-(propan-2-ylamino)phenyl]acetamide is CC(=O)Nc1cccc(NC(C)C)c1.CC(=O)O.
What is the InChIKey of acetic acid;N-[3-(propan-2-ylamino)phenyl]acetamide?
The InChIKey is KCGUOPBTZHOLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.C2H4O2/c1-8(2)12-10-5-4-6-11(7-10)13-9(3)14;1-2(3)4/h4-8,12H,1-3H3,(H,13,14);1H3,(H,3,4).
What are the key properties of acetic acid;N-[3-(propan-2-ylamino)phenyl]acetamide?
acetic acid;N-[3-(propan-2-ylamino)phenyl]acetamide has a molecular weight of 252.31 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-[3-(propan-2-ylamino)phenyl]acetamide is sourced from PubChem (CID 174839462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).