2-[[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide

C13H18ClN3O2 — CID 8772390

IUPAC2-[[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide
SMILESCNC(=O)CNCC(=O)N[C@@H](C)c1ccccc1Cl
InChIInChI=1S/C13H18ClN3O2/c1-9(10-5-3-4-6-11(10)14)17-13(19)8-16-7-12(18)15-2/h3-6,9,16H,7-8H2,1-2H3,(H,15,18)(H,17,19)/t9-/m0/s1
InChIKeyGIHSBQILHGNERI-VIFPVBQESA-N
MW283.76 g/mol
LogP0.85
Rot. Bonds6

About 2-[[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide

2-[[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide (PubChem CID 8772390) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-[[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide
PubChem CID8772390
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name2-[[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide
SMILESCNC(=O)CNCC(=O)N[C@@H](C)c1ccccc1Cl
InChIInChI=1S/C13H18ClN3O2/c1-9(10-5-3-4-6-11(10)14)17-13(19)8-16-7-12(18)15-2/h3-6,9,16H,7-8H2,1-2H3,(H,15,18)(H,17,19)/t9-/m0/s1
InChIKeyGIHSBQILHGNERI-VIFPVBQESA-N
XLogP0.85
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-2-(methylamino)acetamide
CID 60641198
N-[1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 78773468
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449
2-amino-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119268984
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-hydroxybutanamide
CID 81378925
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-piperidin-1-ylacetamide
CID 8894573
2-[1-(2-chlorophenyl)ethylamino]-N-(1-phenylethyl)acetamide
CID 18085942
2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772386
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 81378790
N-[1-(2-chlorophenyl)ethyl]heptanamide
CID 57313827
(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-methylpropanamide
CID 9410224
6-amino-N-[1-(2-chlorophenyl)ethyl]hexanamide
CID 51041452

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide?
The IUPAC name of 2-[[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide (CID 8772390) is 2-[[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide is CNC(=O)CNCC(=O)N[C@@H](C)c1ccccc1Cl.
What is the InChIKey of 2-[[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide?
The InChIKey is GIHSBQILHGNERI-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-9(10-5-3-4-6-11(10)14)17-13(19)8-16-7-12(18)15-2/h3-6,9,16H,7-8H2,1-2H3,(H,15,18)(H,17,19)/t9-/m0/s1.
What are the key properties of 2-[[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide?
2-[[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide has a molecular weight of 283.76 g/mol, XLogP of 0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide is sourced from PubChem (CID 8772390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).