2-amino-N-[2-(diethylamino)-4-methylpentyl]-2-phenylpropanamide;dihydrochloride

C19H35Cl2N3O — CID 120595114

IUPAC2-amino-N-[2-(diethylamino)-4-methylpentyl]-2-phenylpropanamide;dihydrochloride
SMILESCCN(CC)C(CNC(=O)C(C)(N)c1ccccc1)CC(C)C.Cl.Cl
InChIInChI=1S/C19H33N3O.2ClH/c1-6-22(7-2)17(13-15(3)4)14-21-18(23)19(5,20)16-11-9-8-10-12-16;;/h8-12,15,17H,6-7,13-14,20H2,1-5H3,(H,21,23);2*1H
InChIKeyPMHHQNIGWYMLNV-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.58
Rot. Bonds9

About 2-amino-N-[2-(diethylamino)-4-methylpentyl]-2-phenylpropanamide;dihydrochloride

2-amino-N-[2-(diethylamino)-4-methylpentyl]-2-phenylpropanamide;dihydrochloride (PubChem CID 120595114) has the molecular formula C19H35Cl2N3O and a molecular weight of 392.42 g/mol. Its IUPAC name is 2-amino-N-[2-(diethylamino)-4-methylpentyl]-2-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(diethylamino)-4-methylpentyl]-2-phenylpropanamide;dihydrochloride
PubChem CID120595114
Molecular FormulaC19H35Cl2N3O
Molecular Weight392.42 g/mol
Exact Mass391.22
IUPAC Name2-amino-N-[2-(diethylamino)-4-methylpentyl]-2-phenylpropanamide;dihydrochloride
SMILESCCN(CC)C(CNC(=O)C(C)(N)c1ccccc1)CC(C)C.Cl.Cl
InChIInChI=1S/C19H33N3O.2ClH/c1-6-22(7-2)17(13-15(3)4)14-21-18(23)19(5,20)16-11-9-8-10-12-16;;/h8-12,15,17H,6-7,13-14,20H2,1-5H3,(H,21,23);2*1H
InChIKeyPMHHQNIGWYMLNV-UHFFFAOYSA-N
XLogP3.58
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylpropanamide;dihydrochloride
CID 120595403
2-amino-N-(2,2-difluoroethyl)-2-phenylpropanamide
CID 115406878
2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-phenylpropanamide
CID 62488600
2-amino-N-(3-methyl-2-phenylbutyl)-2-phenylpropanamide;hydrochloride
CID 120589227
2-[[(2-amino-2-phenylpropanoyl)amino]methyl]butanoic acid
CID 65224591
2-amino-N-[2-(diethylamino)-3-phenylpropyl]-2-methylpropanamide
CID 119849944
2-amino-N-(2-methoxy-3-methylbutyl)-2-phenylpropanamide;hydrochloride
CID 120593921
2-amino-N-(2-phenoxypropyl)-2-phenylpropanamide
CID 120589356
1-(2-bromophenyl)-3-[(2S)-2-(diethylamino)-4-methylpentyl]urea
CID 52590736
2-amino-N-[2-[ethyl(propyl)amino]ethyl]-2-phenylpropanamide;dihydrochloride
CID 120597323
2-amino-N-[4-(dimethylamino)-2-ethoxybutyl]-2-phenylpropanamide;dihydrochloride
CID 120597356
(2R)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 78991000

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(diethylamino)-4-methylpentyl]-2-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-(diethylamino)-4-methylpentyl]-2-phenylpropanamide;dihydrochloride (CID 120595114) is 2-amino-N-[2-(diethylamino)-4-methylpentyl]-2-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-(diethylamino)-4-methylpentyl]-2-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-(diethylamino)-4-methylpentyl]-2-phenylpropanamide;dihydrochloride is CCN(CC)C(CNC(=O)C(C)(N)c1ccccc1)CC(C)C.Cl.Cl.
What is the InChIKey of 2-amino-N-[2-(diethylamino)-4-methylpentyl]-2-phenylpropanamide;dihydrochloride?
The InChIKey is PMHHQNIGWYMLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O.2ClH/c1-6-22(7-2)17(13-15(3)4)14-21-18(23)19(5,20)16-11-9-8-10-12-16;;/h8-12,15,17H,6-7,13-14,20H2,1-5H3,(H,21,23);2*1H.
What are the key properties of 2-amino-N-[2-(diethylamino)-4-methylpentyl]-2-phenylpropanamide;dihydrochloride?
2-amino-N-[2-(diethylamino)-4-methylpentyl]-2-phenylpropanamide;dihydrochloride has a molecular weight of 392.42 g/mol, XLogP of 3.58, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(diethylamino)-4-methylpentyl]-2-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 120595114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).