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

C14H20ClN3O2 — CID 8637666

IUPAC2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide
SMILESC[C@H](NCC(=O)NCC(=O)N(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN3O2/c1-10(11-4-6-12(15)7-5-11)16-8-13(19)17-9-14(20)18(2)3/h4-7,10,16H,8-9H2,1-3H3,(H,17,19)/t10-/m0/s1
InChIKeyTXZMTLVRFFOIQF-JTQLQIEISA-N
MW297.79 g/mol
LogP1.20
Rot. Bonds6

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

2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide (PubChem CID 8637666) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide
PubChem CID8637666
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide
SMILESC[C@H](NCC(=O)NCC(=O)N(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN3O2/c1-10(11-4-6-12(15)7-5-11)16-8-13(19)17-9-14(20)18(2)3/h4-7,10,16H,8-9H2,1-3H3,(H,17,19)/t10-/m0/s1
InChIKeyTXZMTLVRFFOIQF-JTQLQIEISA-N
XLogP1.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-chlorophenyl)ethylamino]-N-methylacetamide
CID 43214679
N-butyl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 81354492
N-(4-chlorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336008
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide
CID 9335096
N,N-dimethyl-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]acetamide
CID 81355442
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(2-cyanoethyl)acetamide
CID 34698036
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetic acid
CID 81354147
N-butan-2-yl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 81354162
2-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylacetamide
CID 43214641
2-[1-(3,4-dichlorophenyl)ethylamino]-N,N-dimethylacetamide
CID 43214674
N,N-dimethyl-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 28564746
2-[1-(4-chloro-3-fluorophenyl)ethylamino]-N,N-dimethylacetamide
CID 83069532

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide (CID 8637666) is 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide is C[C@H](NCC(=O)NCC(=O)N(C)C)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide?
The InChIKey is TXZMTLVRFFOIQF-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-10(11-4-6-12(15)7-5-11)16-8-13(19)17-9-14(20)18(2)3/h4-7,10,16H,8-9H2,1-3H3,(H,17,19)/t10-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide?
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide has a molecular weight of 297.79 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 8637666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).