3-amino-N-(cyclopropylmethyl)-N,2-dimethyl-3-phenylpropanamide;hydrochloride

C15H23ClN2O — CID 119737873

IUPAC3-amino-N-(cyclopropylmethyl)-N,2-dimethyl-3-phenylpropanamide;hydrochloride
SMILESCC(C(=O)N(C)CC1CC1)C(N)c1ccccc1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-11(14(16)13-6-4-3-5-7-13)15(18)17(2)10-12-8-9-12;/h3-7,11-12,14H,8-10,16H2,1-2H3;1H
InChIKeyJRNPVAZMCVRILK-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.61
Rot. Bonds5

About 3-amino-N-(cyclopropylmethyl)-N,2-dimethyl-3-phenylpropanamide;hydrochloride

3-amino-N-(cyclopropylmethyl)-N,2-dimethyl-3-phenylpropanamide;hydrochloride (PubChem CID 119737873) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 3-amino-N-(cyclopropylmethyl)-N,2-dimethyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(cyclopropylmethyl)-N,2-dimethyl-3-phenylpropanamide;hydrochloride
PubChem CID119737873
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name3-amino-N-(cyclopropylmethyl)-N,2-dimethyl-3-phenylpropanamide;hydrochloride
SMILESCC(C(=O)N(C)CC1CC1)C(N)c1ccccc1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-11(14(16)13-6-4-3-5-7-13)15(18)17(2)10-12-8-9-12;/h3-7,11-12,14H,8-10,16H2,1-2H3;1H
InChIKeyJRNPVAZMCVRILK-UHFFFAOYSA-N
XLogP2.61
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N,2-dimethyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide
CID 80551191
3-amino-N-(cyclobutylmethyl)-N-ethyl-2-methyl-3-phenylpropanamide
CID 107398357
3-amino-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119784591
(2R)-2-amino-N-methyl-N-(oxan-4-ylmethyl)-2-phenylacetamide
CID 63706468
3-amino-N-(cyclobutylmethyl)-N-methyl-2-phenylpropanamide;hydrochloride
CID 119770662
3-amino-2-methyl-N,N-bis(2-methylpropyl)-3-phenylpropanamide;hydrochloride
CID 119669067
3-amino-N-(5-hydroxypentyl)-N,2-dimethyl-3-phenylpropanamide
CID 107199250
3-amino-N,2-dimethyl-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 80548256
3-amino-N-(cyclobutylmethyl)-N-methyl-2-phenylpropanamide
CID 62878205
3-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethyl-3-phenylpropanamide
CID 119681290
3-amino-N,2-dimethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
CID 119958567
3-amino-N,2-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-3-phenylpropanamide
CID 103812839

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclopropylmethyl)-N,2-dimethyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(cyclopropylmethyl)-N,2-dimethyl-3-phenylpropanamide;hydrochloride (CID 119737873) is 3-amino-N-(cyclopropylmethyl)-N,2-dimethyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(cyclopropylmethyl)-N,2-dimethyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(cyclopropylmethyl)-N,2-dimethyl-3-phenylpropanamide;hydrochloride is CC(C(=O)N(C)CC1CC1)C(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-(cyclopropylmethyl)-N,2-dimethyl-3-phenylpropanamide;hydrochloride?
The InChIKey is JRNPVAZMCVRILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-11(14(16)13-6-4-3-5-7-13)15(18)17(2)10-12-8-9-12;/h3-7,11-12,14H,8-10,16H2,1-2H3;1H.
What are the key properties of 3-amino-N-(cyclopropylmethyl)-N,2-dimethyl-3-phenylpropanamide;hydrochloride?
3-amino-N-(cyclopropylmethyl)-N,2-dimethyl-3-phenylpropanamide;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclopropylmethyl)-N,2-dimethyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119737873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).