3-amino-N-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)propanamide

C14H21ClN2O — CID 39367425

IUPAC3-amino-N-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)propanamide
SMILESCC(C)CN(Cc1ccccc1Cl)C(=O)CCN
InChIInChI=1S/C14H21ClN2O/c1-11(2)9-17(14(18)7-8-16)10-12-5-3-4-6-13(12)15/h3-6,11H,7-10,16H2,1-2H3
InChIKeyOTOGAYXLPXWYJE-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.67
Rot. Bonds6

About 3-amino-N-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)propanamide

3-amino-N-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)propanamide (PubChem CID 39367425) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 3-amino-N-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-amino-N-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)propanamide
PubChem CID39367425
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name3-amino-N-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)propanamide
SMILESCC(C)CN(Cc1ccccc1Cl)C(=O)CCN
InChIInChI=1S/C14H21ClN2O/c1-11(2)9-17(14(18)7-8-16)10-12-5-3-4-6-13(12)15/h3-6,11H,7-10,16H2,1-2H3
InChIKeyOTOGAYXLPXWYJE-UHFFFAOYSA-N
XLogP2.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 60938834
2-(2-chlorophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 78853411
3-amino-N,N-bis(2-methylpropyl)propanamide;hydrochloride
CID 119261436
(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 78973445
4-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbutanamide
CID 63308077
N-(3-aminopropyl)-3-(2-methylphenyl)-N-(2-methylpropyl)propanamide
CID 62365153
7-amino-N-[(2-chlorophenyl)methyl]-N-methylheptanamide;hydrochloride
CID 119682648
(2S)-2-[(2-chlorophenyl)methyl-methylamino]propanamide
CID 8541703
N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane
CID 143072453
N-[2-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]-2-oxoethyl]-N-ethyloctanamide
CID 3278411
N-[(2-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide
CID 103514772
(2S)-1-[(2-chlorophenyl)methyl-[(2S)-2-hydroxypropyl]amino]propan-2-ol
CID 756928

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-amino-N-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)propanamide (CID 39367425) is 3-amino-N-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-amino-N-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-amino-N-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)propanamide is CC(C)CN(Cc1ccccc1Cl)C(=O)CCN.
What is the InChIKey of 3-amino-N-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)propanamide?
The InChIKey is OTOGAYXLPXWYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-11(2)9-17(14(18)7-8-16)10-12-5-3-4-6-13(12)15/h3-6,11H,7-10,16H2,1-2H3.
What are the key properties of 3-amino-N-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)propanamide?
3-amino-N-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)propanamide has a molecular weight of 268.79 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 39367425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).