2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-phenylpropanamide;hydrochloride

C15H26ClN3O — CID 119929008

IUPAC2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-phenylpropanamide;hydrochloride
SMILESCC(C(=O)Nc1ccccc1)N(C)CC(C)(C)CN.Cl
InChIInChI=1S/C15H25N3O.ClH/c1-12(18(4)11-15(2,3)10-16)14(19)17-13-8-6-5-7-9-13;/h5-9,12H,10-11,16H2,1-4H3,(H,17,19);1H
InChIKeyFCMZWHFJJCMZAU-UHFFFAOYSA-N
MW299.85 g/mol
LogP2.35
Rot. Bonds6

About 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-phenylpropanamide;hydrochloride

2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-phenylpropanamide;hydrochloride (PubChem CID 119929008) has the molecular formula C15H26ClN3O and a molecular weight of 299.85 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-phenylpropanamide;hydrochloride
PubChem CID119929008
Molecular FormulaC15H26ClN3O
Molecular Weight299.85 g/mol
Exact Mass299.18
IUPAC Name2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-phenylpropanamide;hydrochloride
SMILESCC(C(=O)Nc1ccccc1)N(C)CC(C)(C)CN.Cl
InChIInChI=1S/C15H25N3O.ClH/c1-12(18(4)11-15(2,3)10-16)14(19)17-13-8-6-5-7-9-13;/h5-9,12H,10-11,16H2,1-4H3,(H,17,19);1H
InChIKeyFCMZWHFJJCMZAU-UHFFFAOYSA-N
XLogP2.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-phenylpropanamide
CID 79390383
(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide
CID 8516653
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(4-methoxyphenyl)propanamide
CID 111750353
2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylpropanamide
CID 113426304
2-[methyl(2-piperidin-4-ylethyl)amino]-N-phenylpropanamide
CID 66273436
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropanamide
CID 114028856
N-(4-ethoxyphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 111750477
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-phenylpropanamide
CID 116653105
(2R)-3-amino-2-hydroxy-N-phenylpropanamide
CID 91043258
(2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-phenylpropanamide
CID 8516170
2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide
CID 86979725
N-[4-(aminomethyl)phenyl]-2-[methyl(3-methylbutyl)amino]propanamide
CID 61425557

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-phenylpropanamide;hydrochloride?
The IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-phenylpropanamide;hydrochloride (CID 119929008) is 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-phenylpropanamide;hydrochloride is CC(C(=O)Nc1ccccc1)N(C)CC(C)(C)CN.Cl.
What is the InChIKey of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-phenylpropanamide;hydrochloride?
The InChIKey is FCMZWHFJJCMZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O.ClH/c1-12(18(4)11-15(2,3)10-16)14(19)17-13-8-6-5-7-9-13;/h5-9,12H,10-11,16H2,1-4H3,(H,17,19);1H.
What are the key properties of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-phenylpropanamide;hydrochloride?
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-phenylpropanamide;hydrochloride has a molecular weight of 299.85 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119929008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).