2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N,N-dimethylpropanamide

C13H19ClN2O — CID 81378293

IUPAC2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N,N-dimethylpropanamide
SMILESCC(N[C@@H](C)c1ccccc1Cl)C(=O)N(C)C
InChIInChI=1S/C13H19ClN2O/c1-9(11-7-5-6-8-12(11)14)15-10(2)13(17)16(3)4/h5-10,15H,1-4H3/t9-,10?/m0/s1
InChIKeyVNWPVWSFFBBVKX-RGURZIINSA-N
MW254.76 g/mol
LogP2.47
Rot. Bonds4

About 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N,N-dimethylpropanamide

2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N,N-dimethylpropanamide (PubChem CID 81378293) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N,N-dimethylpropanamide
PubChem CID81378293
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N,N-dimethylpropanamide
SMILESCC(N[C@@H](C)c1ccccc1Cl)C(=O)N(C)C
InChIInChI=1S/C13H19ClN2O/c1-9(11-7-5-6-8-12(11)14)15-10(2)13(17)16(3)4/h5-10,15H,1-4H3/t9-,10?/m0/s1
InChIKeyVNWPVWSFFBBVKX-RGURZIINSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-chlorophenyl)ethylamino]-N,N,4-trimethylpentanamide
CID 43675021
(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-methylpropanamide
CID 9410224
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-propan-2-ylpropanamide
CID 81378852
(2R)-N-tert-butyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propanamide
CID 51925554
(2S)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 9306615
(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9306303
1-(azepan-1-yl)-2-[1-(2-chlorophenyl)ethylamino]propan-1-one
CID 60676820
2-amino-2-(2-chlorophenyl)-N,N-dimethylacetamide
CID 83533893
2-[1-(2-chlorophenyl)ethylamino]butanamide
CID 62899850
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide
CID 55097238
2-[[2-[1-(2-chlorophenyl)ethylsulfinyl]acetyl]amino]-N,N-dimethylpropanamide
CID 75427197
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81377372

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N,N-dimethylpropanamide (CID 81378293) is 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N,N-dimethylpropanamide is CC(N[C@@H](C)c1ccccc1Cl)C(=O)N(C)C.
What is the InChIKey of 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N,N-dimethylpropanamide?
The InChIKey is VNWPVWSFFBBVKX-RGURZIINSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-9(11-7-5-6-8-12(11)14)15-10(2)13(17)16(3)4/h5-10,15H,1-4H3/t9-,10?/m0/s1.
What are the key properties of 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N,N-dimethylpropanamide?
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N,N-dimethylpropanamide has a molecular weight of 254.76 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 81378293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).