2-[(3-cyclopropylphenyl)methylamino]-N,N,4-trimethylpentanamide

C18H28N2O — CID 79969385

IUPAC2-[(3-cyclopropylphenyl)methylamino]-N,N,4-trimethylpentanamide
SMILESCC(C)CC(NCc1cccc(C2CC2)c1)C(=O)N(C)C
InChIInChI=1S/C18H28N2O/c1-13(2)10-17(18(21)20(3)4)19-12-14-6-5-7-16(11-14)15-8-9-15/h5-7,11,13,15,17,19H,8-10,12H2,1-4H3
InChIKeyUDXDCEJLWCYMJE-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.16
Rot. Bonds7

About 2-[(3-cyclopropylphenyl)methylamino]-N,N,4-trimethylpentanamide

2-[(3-cyclopropylphenyl)methylamino]-N,N,4-trimethylpentanamide (PubChem CID 79969385) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-[(3-cyclopropylphenyl)methylamino]-N,N,4-trimethylpentanamide.

Molecular Properties

Compound Name2-[(3-cyclopropylphenyl)methylamino]-N,N,4-trimethylpentanamide
PubChem CID79969385
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-[(3-cyclopropylphenyl)methylamino]-N,N,4-trimethylpentanamide
SMILESCC(C)CC(NCc1cccc(C2CC2)c1)C(=O)N(C)C
InChIInChI=1S/C18H28N2O/c1-13(2)10-17(18(21)20(3)4)19-12-14-6-5-7-16(11-14)15-8-9-15/h5-7,11,13,15,17,19H,8-10,12H2,1-4H3
InChIKeyUDXDCEJLWCYMJE-UHFFFAOYSA-N
XLogP3.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3-cyclopropylphenyl)methylamino]-N,N,4-trimethylpentanamide 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

2-[(4-bromo-3-methylphenyl)methylamino]-N,N,4-trimethylpentanamide
CID 66473597
4-[[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]amino]methyl]benzoic acid
CID 65348249
ethyl 2-[(3-cyclopropylphenyl)methylamino]propanoate
CID 79979090
2-[(5-bromothiophen-3-yl)methylamino]-N,N,4-trimethylpentanamide
CID 43675102
2-[(4-cyclopropylphenyl)methylamino]-N,N-dimethylpropanamide
CID 79979065
(2R)-2-[(3-iodophenyl)methylamino]-4-methylpentanoic acid
CID 122037416
(1S)-1-cycloheptyl-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 81391460
(2S)-2-[(4-cyclobutylphenyl)methylamino]-4-methylpentanoic acid
CID 122037087
(1S)-N-[(3-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356483
N-[(3-cyclopropylphenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 79969399
3-(3-cyclohexylphenyl)-2-methylpropanoic acid
CID 115006126
1-(4-bromophenyl)-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 79979302

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropylphenyl)methylamino]-N,N,4-trimethylpentanamide?
The IUPAC name of 2-[(3-cyclopropylphenyl)methylamino]-N,N,4-trimethylpentanamide (CID 79969385) is 2-[(3-cyclopropylphenyl)methylamino]-N,N,4-trimethylpentanamide.
What is the SMILES notation for 2-[(3-cyclopropylphenyl)methylamino]-N,N,4-trimethylpentanamide?
The canonical SMILES for 2-[(3-cyclopropylphenyl)methylamino]-N,N,4-trimethylpentanamide is CC(C)CC(NCc1cccc(C2CC2)c1)C(=O)N(C)C.
What is the InChIKey of 2-[(3-cyclopropylphenyl)methylamino]-N,N,4-trimethylpentanamide?
The InChIKey is UDXDCEJLWCYMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(2)10-17(18(21)20(3)4)19-12-14-6-5-7-16(11-14)15-8-9-15/h5-7,11,13,15,17,19H,8-10,12H2,1-4H3.
What are the key properties of 2-[(3-cyclopropylphenyl)methylamino]-N,N,4-trimethylpentanamide?
2-[(3-cyclopropylphenyl)methylamino]-N,N,4-trimethylpentanamide has a molecular weight of 288.44 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropylphenyl)methylamino]-N,N,4-trimethylpentanamide is sourced from PubChem (CID 79969385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).