(2S)-2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]propanamide

C13H19ClN2O2 — CID 119285034

IUPAC(2S)-2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]propanamide
SMILESCC(C)COc1ccc(NC(=O)[C@H](C)N)cc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-8(2)7-18-12-5-4-10(6-11(12)14)16-13(17)9(3)15/h4-6,8-9H,7,15H2,1-3H3,(H,16,17)/t9-/m0/s1
InChIKeyZEYCAPAKKPXGOV-VIFPVBQESA-N
MW270.76 g/mol
LogP2.66
Rot. Bonds5

About (2S)-2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]propanamide

(2S)-2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]propanamide (PubChem CID 119285034) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]propanamide
PubChem CID119285034
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name(2S)-2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]propanamide
SMILESCC(C)COc1ccc(NC(=O)[C@H](C)N)cc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-8(2)7-18-12-5-4-10(6-11(12)14)16-13(17)9(3)15/h4-6,8-9H,7,15H2,1-3H3,(H,16,17)/t9-/m0/s1
InChIKeyZEYCAPAKKPXGOV-VIFPVBQESA-N
XLogP2.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119715596
2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-4-methylsulfonylbutanamide
CID 119956470
3-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119715601
(2R)-2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 119862046
2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786697
2-(4-acetamidophenyl)sulfanyl-N-[3-chloro-4-(2-methylpropoxy)phenyl]propanamide
CID 55852315
(2S)-2-amino-N-(3,4-dichlorophenyl)propanamide
CID 22690595
2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide
CID 54862511
(2S)-2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide
CID 61179599
N-[3-chloro-4-(2-methylpropoxy)phenyl]-5-methylfuran-2-carboxamide
CID 37408098
2-amino-N-(3-chloro-4-methylphenyl)propanamide
CID 24694047
(2R)-2-amino-N-(3-chloro-4-cyclopentyloxyphenyl)propanamide;hydrochloride
CID 119302889

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]propanamide (CID 119285034) is (2S)-2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]propanamide is CC(C)COc1ccc(NC(=O)[C@H](C)N)cc1Cl.
What is the InChIKey of (2S)-2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]propanamide?
The InChIKey is ZEYCAPAKKPXGOV-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-8(2)7-18-12-5-4-10(6-11(12)14)16-13(17)9(3)15/h4-6,8-9H,7,15H2,1-3H3,(H,16,17)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]propanamide?
(2S)-2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]propanamide has a molecular weight of 270.76 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]propanamide is sourced from PubChem (CID 119285034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).