3-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]butanamide;hydrochloride

C14H22Cl2N2O — CID 119773046

IUPAC3-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCC(C)(C)c1ccccc1Cl.Cl
InChIInChI=1S/C14H21ClN2O.ClH/c1-10(16)8-13(18)17-9-14(2,3)11-6-4-5-7-12(11)15;/h4-7,10H,8-9,16H2,1-3H3,(H,17,18);1H
InChIKeyYYUPKTBEBVFAJU-UHFFFAOYSA-N
MW305.25 g/mol
LogP2.89
Rot. Bonds5

About 3-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]butanamide;hydrochloride

3-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]butanamide;hydrochloride (PubChem CID 119773046) has the molecular formula C14H22Cl2N2O and a molecular weight of 305.25 g/mol. Its IUPAC name is 3-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]butanamide;hydrochloride
PubChem CID119773046
Molecular FormulaC14H22Cl2N2O
Molecular Weight305.25 g/mol
Exact Mass304.11
IUPAC Name3-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCC(C)(C)c1ccccc1Cl.Cl
InChIInChI=1S/C14H21ClN2O.ClH/c1-10(16)8-13(18)17-9-14(2,3)11-6-4-5-7-12(11)15;/h4-7,10H,8-9,16H2,1-3H3,(H,17,18);1H
InChIKeyYYUPKTBEBVFAJU-UHFFFAOYSA-N
XLogP2.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]-4-methylpentanamide
CID 119773059
N-[2-(2-chlorophenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119773024
3-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]butanamide
CID 119777725
(2R)-N-[2-(2-chlorophenyl)-2-methylpropyl]-2-propan-2-ylsulfonylpropanamide
CID 95280366
3-(2-aminophenyl)-N-[2-(2-chlorophenyl)-2-methylpropyl]propanamide
CID 120610426
N-[2-(2-chlorophenyl)-2-methylpropyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119773052
3-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride
CID 119399933
N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutanamide
CID 110442195
4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]pentanamide
CID 120562379
3-amino-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide
CID 115154468
3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]butanamide
CID 115154464
3-amino-N-[2-(3-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride
CID 120873398

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]butanamide;hydrochloride (CID 119773046) is 3-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]butanamide;hydrochloride is CC(N)CC(=O)NCC(C)(C)c1ccccc1Cl.Cl.
What is the InChIKey of 3-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]butanamide;hydrochloride?
The InChIKey is YYUPKTBEBVFAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O.ClH/c1-10(16)8-13(18)17-9-14(2,3)11-6-4-5-7-12(11)15;/h4-7,10H,8-9,16H2,1-3H3,(H,17,18);1H.
What are the key properties of 3-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]butanamide;hydrochloride?
3-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]butanamide;hydrochloride has a molecular weight of 305.25 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 3-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]butanamide;hydrochloride is sourced from PubChem (CID 119773046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).