2-[[(3R)-3-(4-chlorophenyl)-4-oxopentyl]amino]-N,N-dimethylacetamide

C15H21ClN2O2 — CID 71126533

IUPAC2-[[(3R)-3-(4-chlorophenyl)-4-oxopentyl]amino]-N,N-dimethylacetamide
SMILESCC(=O)[C@H](CCNCC(=O)N(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2/c1-11(19)14(12-4-6-13(16)7-5-12)8-9-17-10-15(20)18(2)3/h4-7,14,17H,8-10H2,1-3H3/t14-/m0/s1
InChIKeyHTTWVARFOKRRGK-AWEZNQCLSA-N
MW296.80 g/mol
LogP2.08
Rot. Bonds7

About 2-[[(3R)-3-(4-chlorophenyl)-4-oxopentyl]amino]-N,N-dimethylacetamide

2-[[(3R)-3-(4-chlorophenyl)-4-oxopentyl]amino]-N,N-dimethylacetamide (PubChem CID 71126533) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-[[(3R)-3-(4-chlorophenyl)-4-oxopentyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(3R)-3-(4-chlorophenyl)-4-oxopentyl]amino]-N,N-dimethylacetamide
PubChem CID71126533
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-[[(3R)-3-(4-chlorophenyl)-4-oxopentyl]amino]-N,N-dimethylacetamide
SMILESCC(=O)[C@H](CCNCC(=O)N(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2/c1-11(19)14(12-4-6-13(16)7-5-12)8-9-17-10-15(20)18(2)3/h4-7,14,17H,8-10H2,1-3H3/t14-/m0/s1
InChIKeyHTTWVARFOKRRGK-AWEZNQCLSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-chlorophenyl)ethylamino]-N,N-dimethylacetamide
CID 60672208
2-[[3-(4-bromophenyl)-4-oxopentyl]amino]acetamide
CID 77427142
3-(4-chlorophenyl)-4-(2-fluoroethylamino)butan-2-one;ethane
CID 143607405
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 8637666
3-(4-chlorophenyl)-4-(2-methoxyethylamino)butan-2-one;ethane
CID 143607230
2-(4-chlorophenyl)-N,N,3-trimethylbutanamide
CID 60653268
(3R)-3-(4-chlorophenyl)-4-phenylbutan-2-one
CID 125485256
N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 54870564
3-(4-chloroanilino)-N,N-dimethylpropanamide
CID 60960793
2-(4-chlorophenyl)-3-[methyl(propan-2-yl)amino]propanamide
CID 67518773
[2-(dimethylamino)-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 46818754
4-[(4-chlorophenyl)methylamino]-N,N-dimethylbutanamide
CID 54941099

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-(4-chlorophenyl)-4-oxopentyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(3R)-3-(4-chlorophenyl)-4-oxopentyl]amino]-N,N-dimethylacetamide (CID 71126533) is 2-[[(3R)-3-(4-chlorophenyl)-4-oxopentyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(3R)-3-(4-chlorophenyl)-4-oxopentyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(3R)-3-(4-chlorophenyl)-4-oxopentyl]amino]-N,N-dimethylacetamide is CC(=O)[C@H](CCNCC(=O)N(C)C)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[(3R)-3-(4-chlorophenyl)-4-oxopentyl]amino]-N,N-dimethylacetamide?
The InChIKey is HTTWVARFOKRRGK-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-11(19)14(12-4-6-13(16)7-5-12)8-9-17-10-15(20)18(2)3/h4-7,14,17H,8-10H2,1-3H3/t14-/m0/s1.
What are the key properties of 2-[[(3R)-3-(4-chlorophenyl)-4-oxopentyl]amino]-N,N-dimethylacetamide?
2-[[(3R)-3-(4-chlorophenyl)-4-oxopentyl]amino]-N,N-dimethylacetamide has a molecular weight of 296.80 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-(4-chlorophenyl)-4-oxopentyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 71126533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).