1-(3-aminophenyl)-2-(2-propan-2-ylanilino)ethanone

C17H20N2O — CID 96667328

IUPAC1-(3-aminophenyl)-2-(2-propan-2-ylanilino)ethanone
SMILESCC(C)c1ccccc1NCC(=O)c1cccc(N)c1
InChIInChI=1S/C17H20N2O/c1-12(2)15-8-3-4-9-16(15)19-11-17(20)13-6-5-7-14(18)10-13/h3-10,12,19H,11,18H2,1-2H3
InChIKeyLBFCAFQZCNLHAJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.69
Rot. Bonds5

About 1-(3-aminophenyl)-2-(2-propan-2-ylanilino)ethanone

1-(3-aminophenyl)-2-(2-propan-2-ylanilino)ethanone (PubChem CID 96667328) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-(2-propan-2-ylanilino)ethanone.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-(2-propan-2-ylanilino)ethanone
PubChem CID96667328
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-(3-aminophenyl)-2-(2-propan-2-ylanilino)ethanone
SMILESCC(C)c1ccccc1NCC(=O)c1cccc(N)c1
InChIInChI=1S/C17H20N2O/c1-12(2)15-8-3-4-9-16(15)19-11-17(20)13-6-5-7-14(18)10-13/h3-10,12,19H,11,18H2,1-2H3
InChIKeyLBFCAFQZCNLHAJ-UHFFFAOYSA-N
XLogP3.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,5-diamino-N-(2-propan-2-ylphenyl)benzamide
CID 61092144
N-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]benzamide
CID 54823438
3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide
CID 54842293
3-N-(2-propan-2-ylphenyl)benzene-1,3-diamine
CID 43132792
N-(2-methylpropyl)-2-(2-propan-2-ylanilino)acetamide
CID 28573972
N-(2-methylphenyl)-2-(2-propan-2-ylanilino)acetamide
CID 42069296
1-(3-aminophenyl)-3-(propan-2-ylamino)propan-1-one
CID 96657468
N-phenyl-2-(2-propan-2-ylanilino)acetamide
CID 7636862
1-(3-aminophenyl)propan-1-one;propane
CID 145257024
4-(3-aminophenyl)-4-oxo-N-propan-2-ylbutanamide
CID 94262244
2-[[2-(3-aminophenyl)-2-oxoethyl]amino]pentanoic acid
CID 82258291
2-(3-acetylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 18096583

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-(2-propan-2-ylanilino)ethanone?
The IUPAC name of 1-(3-aminophenyl)-2-(2-propan-2-ylanilino)ethanone (CID 96667328) is 1-(3-aminophenyl)-2-(2-propan-2-ylanilino)ethanone.
What is the SMILES notation for 1-(3-aminophenyl)-2-(2-propan-2-ylanilino)ethanone?
The canonical SMILES for 1-(3-aminophenyl)-2-(2-propan-2-ylanilino)ethanone is CC(C)c1ccccc1NCC(=O)c1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-2-(2-propan-2-ylanilino)ethanone?
The InChIKey is LBFCAFQZCNLHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12(2)15-8-3-4-9-16(15)19-11-17(20)13-6-5-7-14(18)10-13/h3-10,12,19H,11,18H2,1-2H3.
What are the key properties of 1-(3-aminophenyl)-2-(2-propan-2-ylanilino)ethanone?
1-(3-aminophenyl)-2-(2-propan-2-ylanilino)ethanone has a molecular weight of 268.36 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-(2-propan-2-ylanilino)ethanone is sourced from PubChem (CID 96667328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).