(2S,3S)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methylpentanamide

C14H22ClN3O — CID 61154949

IUPAC(2S,3S)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1cccc(Cl)c1N(C)C
InChIInChI=1S/C14H22ClN3O/c1-5-9(2)12(16)14(19)17-11-8-6-7-10(15)13(11)18(3)4/h6-9,12H,5,16H2,1-4H3,(H,17,19)/t9-,12-/m0/s1
InChIKeyWISXAZKAHRVGDZ-CABZTGNLSA-N
MW283.80 g/mol
LogP2.72
Rot. Bonds5

About (2S,3S)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methylpentanamide

(2S,3S)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methylpentanamide (PubChem CID 61154949) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methylpentanamide
PubChem CID61154949
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name(2S,3S)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1cccc(Cl)c1N(C)C
InChIInChI=1S/C14H22ClN3O/c1-5-9(2)12(16)14(19)17-11-8-6-7-10(15)13(11)18(3)4/h6-9,12H,5,16H2,1-4H3,(H,17,19)/t9-,12-/m0/s1
InChIKeyWISXAZKAHRVGDZ-CABZTGNLSA-N
XLogP2.72
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]pentanamide
CID 103813583
ethyl N-[3-chloro-2-(dimethylamino)phenyl]carbamate
CID 61061554
2-amino-N-(2-ethylphenyl)-3-methylpentanamide
CID 24700876
(2S)-2-amino-N-[2-(dimethylamino)-3-pyridinyl]-3-methylpentanamide
CID 61173712
2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide
CID 79602659
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide
CID 79602661
(2S,3S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylpentanamide
CID 61180080
2-amino-N-(2-fluorophenyl)-3-methylpentanamide
CID 24698442
N-[3-chloro-2-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 46485516
(2S)-2-[[3-chloro-2-(dimethylamino)phenyl]carbamoylamino]-N-propylpropanamide
CID 94194163
(2S)-2-amino-N-(3-bromo-2-methylphenyl)-3-methylpentanamide
CID 103832917
(2S,3S)-2-amino-3-methyl-N-(2-methyl-3-sulfamoylphenyl)pentanamide
CID 61164806

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methylpentanamide (CID 61154949) is (2S,3S)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methylpentanamide is CC[C@H](C)[C@H](N)C(=O)Nc1cccc(Cl)c1N(C)C.
What is the InChIKey of (2S,3S)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methylpentanamide?
The InChIKey is WISXAZKAHRVGDZ-CABZTGNLSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-5-9(2)12(16)14(19)17-11-8-6-7-10(15)13(11)18(3)4/h6-9,12H,5,16H2,1-4H3,(H,17,19)/t9-,12-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methylpentanamide?
(2S,3S)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methylpentanamide has a molecular weight of 283.80 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methylpentanamide is sourced from PubChem (CID 61154949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).