N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide

C13H19ClN2O — CID 81378790

IUPACN-[(1S)-1-(2-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)N[C@@H](C)c1ccccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-9(8-15-3)13(17)16-10(2)11-6-4-5-7-12(11)14/h4-7,9-10,15H,8H2,1-3H3,(H,16,17)/t9?,10-/m0/s1
InChIKeySZBIEQHCLWSHKE-AXDSSHIGSA-N
MW254.76 g/mol
LogP2.37
Rot. Bonds5

About N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide

N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 81378790) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
PubChem CID81378790
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-[(1S)-1-(2-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)N[C@@H](C)c1ccccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-9(8-15-3)13(17)16-10(2)11-6-4-5-7-12(11)14/h4-7,9-10,15H,8H2,1-3H3,(H,16,17)/t9?,10-/m0/s1
InChIKeySZBIEQHCLWSHKE-AXDSSHIGSA-N
XLogP2.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79195760
N-[1-(2-chlorophenyl)ethyl]-2-(methylamino)acetamide
CID 60641198
2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]propanamide
CID 81378427
2-methyl-3-(methylamino)-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669709
(2S)-2-amino-N-[1-(2-chlorophenyl)ethyl]-3-methylpentanamide
CID 61258252
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119716596
N-[1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 78773468
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449
(2S)-2-acetamido-N-[(1S)-1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 93238063
2-[[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772390
2-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methylpentanamide
CID 81378675
1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea
CID 29026170

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide (CID 81378790) is N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)N[C@@H](C)c1ccccc1Cl.
What is the InChIKey of N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is SZBIEQHCLWSHKE-AXDSSHIGSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-9(8-15-3)13(17)16-10(2)11-6-4-5-7-12(11)14/h4-7,9-10,15H,8H2,1-3H3,(H,16,17)/t9?,10-/m0/s1.
What are the key properties of N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide?
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 254.76 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 81378790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).