N-butyl-2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]acetamide

C18H28N2O — CID 78900262

IUPACN-butyl-2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]acetamide
SMILESCCCCNC(=O)CN(Cc1ccc(C)c(C)c1)C1CC1
InChIInChI=1S/C18H28N2O/c1-4-5-10-19-18(21)13-20(17-8-9-17)12-16-7-6-14(2)15(3)11-16/h6-7,11,17H,4-5,8-10,12-13H2,1-3H3,(H,19,21)
InChIKeyOTYHPACDLFWLAE-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.18
Rot. Bonds8

About N-butyl-2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]acetamide

N-butyl-2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]acetamide (PubChem CID 78900262) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-butyl-2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]acetamide
PubChem CID78900262
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-butyl-2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]acetamide
SMILESCCCCNC(=O)CN(Cc1ccc(C)c(C)c1)C1CC1
InChIInChI=1S/C18H28N2O/c1-4-5-10-19-18(21)13-20(17-8-9-17)12-16-7-6-14(2)15(3)11-16/h6-7,11,17H,4-5,8-10,12-13H2,1-3H3,(H,19,21)
InChIKeyOTYHPACDLFWLAE-UHFFFAOYSA-N
XLogP3.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butyl-2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]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

Metalkonium Chloride
CID 7535
Acetamide, N-(alpha-cyclohexylbenzyl)-2-(diethylamino)-
CID 209457
N-(1,2,3,5,6,7-Hexahydro-s-indacen-1-yl)-1-piperidineacetamide hydrochloride
CID 3058667
1-Piperidineacetamide, N-(diphenylmethyl)-
CID 216494
1-Pyrrolidineacetamide, N-(diphenylmethyl)-
CID 216501
2-(Diethylamino)-N-(1-phenylethyl)ethanimidic acid
CID 209462
N-(2,4,5-Trimethylbenzyl)-acetamide
CID 295549
(2S)-2-[(3,4-dimethylphenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide
CID 127040559
N-benzyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]ethanediamide
CID 3156713
N-cyclohexyl-2-(diethylamino)-2-(4-methylphenyl)acetamide
CID 4206052
N-benzyl-2-[(4-ethylphenyl)methyl-methylamino]propanamide
CID 4883439
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 4885140

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]acetamide?
The IUPAC name of N-butyl-2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]acetamide (CID 78900262) is N-butyl-2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-butyl-2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]acetamide?
The canonical SMILES for N-butyl-2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]acetamide is CCCCNC(=O)CN(Cc1ccc(C)c(C)c1)C1CC1.
What is the InChIKey of N-butyl-2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]acetamide?
The InChIKey is OTYHPACDLFWLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-5-10-19-18(21)13-20(17-8-9-17)12-16-7-6-14(2)15(3)11-16/h6-7,11,17H,4-5,8-10,12-13H2,1-3H3,(H,19,21).
What are the key properties of N-butyl-2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]acetamide?
N-butyl-2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]acetamide has a molecular weight of 288.44 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 78900262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).