2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-2-ethylbutanamide

C14H21ClN2O — CID 81371976

IUPAC2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)N[C@@H](C)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-4-14(16,5-2)13(18)17-10(3)11-7-6-8-12(15)9-11/h6-10H,4-5,16H2,1-3H3,(H,17,18)/t10-/m0/s1
InChIKeyTYCDYCONXRAOHW-JTQLQIEISA-N
MW268.79 g/mol
LogP3.03
Rot. Bonds5

About 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-2-ethylbutanamide

2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-2-ethylbutanamide (PubChem CID 81371976) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-2-ethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-2-ethylbutanamide
PubChem CID81371976
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)N[C@@H](C)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-4-14(16,5-2)13(18)17-10(3)11-7-6-8-12(15)9-11/h6-10H,4-5,16H2,1-3H3,(H,17,18)/t10-/m0/s1
InChIKeyTYCDYCONXRAOHW-JTQLQIEISA-N
XLogP3.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 61266625
2-amino-2-ethyl-N-[1-(3-fluorophenyl)ethyl]butanamide
CID 79814759
3-amino-N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119685342
2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-ethylbutanamide
CID 79814263
2-amino-2-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 79813973
N-[1-(3-chlorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide
CID 62847640
3-amino-N-[1-(3-chlorophenyl)ethyl]butanamide;hydrochloride
CID 119685358
2-[1-(3-chlorophenyl)ethylcarbamoylamino]-2-ethylbutanoic acid
CID 79815010
4-amino-N-[1-(3-chlorophenyl)ethyl]pentanamide;hydrochloride
CID 120559119
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide
CID 81372048
2-amino-N-(3-chlorophenyl)-2-ethylbutanamide
CID 79809226
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-2-ethylbutanamide?
The IUPAC name of 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-2-ethylbutanamide (CID 81371976) is 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-2-ethylbutanamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-2-ethylbutanamide?
The canonical SMILES for 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-2-ethylbutanamide is CCC(N)(CC)C(=O)N[C@@H](C)c1cccc(Cl)c1.
What is the InChIKey of 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-2-ethylbutanamide?
The InChIKey is TYCDYCONXRAOHW-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-4-14(16,5-2)13(18)17-10(3)11-7-6-8-12(15)9-11/h6-10H,4-5,16H2,1-3H3,(H,17,18)/t10-/m0/s1.
What are the key properties of 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-2-ethylbutanamide?
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-2-ethylbutanamide has a molecular weight of 268.79 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-2-ethylbutanamide is sourced from PubChem (CID 81371976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).