N-butyl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide

C14H21ClN2O — CID 81354492

IUPACN-butyl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
SMILESCCCCNC(=O)CN[C@@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-3-4-9-16-14(18)10-17-11(2)12-5-7-13(15)8-6-12/h5-8,11,17H,3-4,9-10H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyLZHYVHLCZSEKSA-NSHDSACASA-N
MW268.79 g/mol
LogP2.91
Rot. Bonds7

About N-butyl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide

N-butyl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide (PubChem CID 81354492) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-butyl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
PubChem CID81354492
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-butyl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
SMILESCCCCNC(=O)CN[C@@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-3-4-9-16-14(18)10-17-11(2)12-5-7-13(15)8-6-12/h5-8,11,17H,3-4,9-10H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyLZHYVHLCZSEKSA-NSHDSACASA-N
XLogP2.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butyl-2-[[(1S)-1-(4-chlorophenyl)ethyl]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

2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(2-cyanoethyl)acetamide
CID 34698036
N-[1-(4-chlorophenyl)ethyl]butan-1-amine
CID 43177996
2-[1-(4-chlorophenyl)ethylamino]-N-methylacetamide
CID 43214679
N-butan-2-yl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 81354162
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 8637666
N-(4-chlorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336008
2-[1-(4-chlorophenyl)propylamino]-N-propylacetamide
CID 43403065
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 8636133
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetic acid
CID 81354147
2-[1-(4-bromophenyl)ethylamino]-N-[2-(4-chlorophenyl)ethyl]acetamide;oxalic acid
CID 47006345
2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylacetamide
CID 43400934
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 8636999

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide?
The IUPAC name of N-butyl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide (CID 81354492) is N-butyl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-butyl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide?
The canonical SMILES for N-butyl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide is CCCCNC(=O)CN[C@@H](C)c1ccc(Cl)cc1.
What is the InChIKey of N-butyl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide?
The InChIKey is LZHYVHLCZSEKSA-NSHDSACASA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-3-4-9-16-14(18)10-17-11(2)12-5-7-13(15)8-6-12/h5-8,11,17H,3-4,9-10H2,1-2H3,(H,16,18)/t11-/m0/s1.
What are the key properties of N-butyl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide?
N-butyl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide has a molecular weight of 268.79 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 81354492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).