(2R)-2-amino-N-[1-(3-chlorophenyl)propyl]-3-methylbutanamide

C14H21ClN2O — CID 79011821

IUPAC(2R)-2-amino-N-[1-(3-chlorophenyl)propyl]-3-methylbutanamide
SMILESCCC(NC(=O)[C@H](N)C(C)C)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-4-12(10-6-5-7-11(15)8-10)17-14(18)13(16)9(2)3/h5-9,12-13H,4,16H2,1-3H3,(H,17,18)/t12?,13-/m1/s1
InChIKeyIIVGJDXGLUIDHM-ZGTCLIOFSA-N
MW268.79 g/mol
LogP2.89
Rot. Bonds5

About (2R)-2-amino-N-[1-(3-chlorophenyl)propyl]-3-methylbutanamide

(2R)-2-amino-N-[1-(3-chlorophenyl)propyl]-3-methylbutanamide (PubChem CID 79011821) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(3-chlorophenyl)propyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(3-chlorophenyl)propyl]-3-methylbutanamide
PubChem CID79011821
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name(2R)-2-amino-N-[1-(3-chlorophenyl)propyl]-3-methylbutanamide
SMILESCCC(NC(=O)[C@H](N)C(C)C)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-4-12(10-6-5-7-11(15)8-10)17-14(18)13(16)9(2)3/h5-9,12-13H,4,16H2,1-3H3,(H,17,18)/t12?,13-/m1/s1
InChIKeyIIVGJDXGLUIDHM-ZGTCLIOFSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-[1-(3-chlorophenyl)propylamino]-4-oxobutanoic acid
CID 64894322
2-amino-N-[1-(3-chlorophenyl)propyl]pentanamide;hydrochloride
CID 119285536
2-amino-N-[1-(3-chlorophenyl)propyl]-3-methoxypropanamide
CID 81082683
2-amino-N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-methylpentanamide;hydrochloride
CID 119820004
4-amino-5-[1-(3-chlorophenyl)propylamino]-5-oxopentanoic acid
CID 64896597
3-amino-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119949676
2-amino-N-[1-(3-chlorophenyl)propyl]-2-methylbutanamide
CID 79796813
methyl 4-[(1R)-1-[[2-amino-2-(3-chlorophenyl)acetyl]amino]propyl]benzoate
CID 71243030
1-[1-(3-chlorophenyl)propyl]-3-(2-hydroxyethyl)urea
CID 110894209
2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbutanamide
CID 114010258
N-[1-(3-chlorophenyl)propyl]thiophene-2-carboxamide
CID 46587498
N-[1-(3-chlorophenyl)propyl]-3-methylbutan-2-amine
CID 43131327

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(3-chlorophenyl)propyl]-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-[1-(3-chlorophenyl)propyl]-3-methylbutanamide (CID 79011821) is (2R)-2-amino-N-[1-(3-chlorophenyl)propyl]-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-(3-chlorophenyl)propyl]-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[1-(3-chlorophenyl)propyl]-3-methylbutanamide is CCC(NC(=O)[C@H](N)C(C)C)c1cccc(Cl)c1.
What is the InChIKey of (2R)-2-amino-N-[1-(3-chlorophenyl)propyl]-3-methylbutanamide?
The InChIKey is IIVGJDXGLUIDHM-ZGTCLIOFSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-4-12(10-6-5-7-11(15)8-10)17-14(18)13(16)9(2)3/h5-9,12-13H,4,16H2,1-3H3,(H,17,18)/t12?,13-/m1/s1.
What are the key properties of (2R)-2-amino-N-[1-(3-chlorophenyl)propyl]-3-methylbutanamide?
(2R)-2-amino-N-[1-(3-chlorophenyl)propyl]-3-methylbutanamide has a molecular weight of 268.79 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(3-chlorophenyl)propyl]-3-methylbutanamide is sourced from PubChem (CID 79011821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).