(2S)-4-chloro-N,N-dimethyl-2-(methylamino)butanamide

C7H15ClN2O — CID 170293108

IUPAC(2S)-4-chloro-N,N-dimethyl-2-(methylamino)butanamide
SMILESCN[C@@H](CCCl)C(=O)N(C)C
InChIInChI=1S/C7H15ClN2O/c1-9-6(4-5-8)7(11)10(2)3/h6,9H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyCYDJNGGVSIQJNH-LURJTMIESA-N
MW178.66 g/mol
LogP0.29
Rot. Bonds4

About (2S)-4-chloro-N,N-dimethyl-2-(methylamino)butanamide

(2S)-4-chloro-N,N-dimethyl-2-(methylamino)butanamide (PubChem CID 170293108) has the molecular formula C7H15ClN2O and a molecular weight of 178.66 g/mol. Its IUPAC name is (2S)-4-chloro-N,N-dimethyl-2-(methylamino)butanamide.

Molecular Properties

Compound Name(2S)-4-chloro-N,N-dimethyl-2-(methylamino)butanamide
PubChem CID170293108
Molecular FormulaC7H15ClN2O
Molecular Weight178.66 g/mol
Exact Mass178.09
IUPAC Name(2S)-4-chloro-N,N-dimethyl-2-(methylamino)butanamide
SMILESCN[C@@H](CCCl)C(=O)N(C)C
InChIInChI=1S/C7H15ClN2O/c1-9-6(4-5-8)7(11)10(2)3/h6,9H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyCYDJNGGVSIQJNH-LURJTMIESA-N
XLogP0.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-N,N-dimethyl-2-(methylamino)-5-[(2-methylpropan-2-yl)oxy]hexanamide
CID 167227163
[1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid
CID 89440647
(2S,3R)-3-hydroxy-N,N-dimethyl-2-(methylamino)butanamide
CID 163858053
3-chloro-2-(methylamino)propanoic acid;hydrochloride
CID 88507294
(2S)-N,N',4-trimethyl-2-(methylamino)pentanehydrazide
CID 50994387
2,5-bis(methylamino)hexanediamide
CID 66221520
methyl 4-chloro-2-(methoxycarbonylamino)butanoate
CID 175350926
2-fluoro-N,N-dimethylbutanamide
CID 14592376
3-[dimethylcarbamoyl(methyl)phosphanyl]-2-(methylamino)propanoic acid
CID 59371800
(2S)-N-formyl-N,4-dimethyl-2-(methylamino)pentanamide
CID 135143266
tert-butyl N-[1-(dimethylamino)-3-(methylamino)-1-oxopropan-2-yl]carbamate
CID 87125447
(2S)-4-amino-2-hydroxy-N,N-dimethylbutanamide
CID 87476132

Frequently Asked Questions

What is the IUPAC name of (2S)-4-chloro-N,N-dimethyl-2-(methylamino)butanamide?
The IUPAC name of (2S)-4-chloro-N,N-dimethyl-2-(methylamino)butanamide (CID 170293108) is (2S)-4-chloro-N,N-dimethyl-2-(methylamino)butanamide.
What is the SMILES notation for (2S)-4-chloro-N,N-dimethyl-2-(methylamino)butanamide?
The canonical SMILES for (2S)-4-chloro-N,N-dimethyl-2-(methylamino)butanamide is CN[C@@H](CCCl)C(=O)N(C)C.
What is the InChIKey of (2S)-4-chloro-N,N-dimethyl-2-(methylamino)butanamide?
The InChIKey is CYDJNGGVSIQJNH-LURJTMIESA-N. The full InChI is InChI=1S/C7H15ClN2O/c1-9-6(4-5-8)7(11)10(2)3/h6,9H,4-5H2,1-3H3/t6-/m0/s1.
What are the key properties of (2S)-4-chloro-N,N-dimethyl-2-(methylamino)butanamide?
(2S)-4-chloro-N,N-dimethyl-2-(methylamino)butanamide has a molecular weight of 178.66 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-chloro-N,N-dimethyl-2-(methylamino)butanamide is sourced from PubChem (CID 170293108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).