3-amino-2-methyl-N,N-bis(2-methylpropyl)-3-phenylpropanamide;hydrochloride

C18H31ClN2O — CID 119669067

IUPAC3-amino-2-methyl-N,N-bis(2-methylpropyl)-3-phenylpropanamide;hydrochloride
SMILESCC(C)CN(CC(C)C)C(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C18H30N2O.ClH/c1-13(2)11-20(12-14(3)4)18(21)15(5)17(19)16-9-7-6-8-10-16;/h6-10,13-15,17H,11-12,19H2,1-5H3;1H
InChIKeyIRNNPNILNBNCMS-UHFFFAOYSA-N
MW326.91 g/mol
LogP3.88
Rot. Bonds7

About 3-amino-2-methyl-N,N-bis(2-methylpropyl)-3-phenylpropanamide;hydrochloride

3-amino-2-methyl-N,N-bis(2-methylpropyl)-3-phenylpropanamide;hydrochloride (PubChem CID 119669067) has the molecular formula C18H31ClN2O and a molecular weight of 326.91 g/mol. Its IUPAC name is 3-amino-2-methyl-N,N-bis(2-methylpropyl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N,N-bis(2-methylpropyl)-3-phenylpropanamide;hydrochloride
PubChem CID119669067
Molecular FormulaC18H31ClN2O
Molecular Weight326.91 g/mol
Exact Mass326.21
IUPAC Name3-amino-2-methyl-N,N-bis(2-methylpropyl)-3-phenylpropanamide;hydrochloride
SMILESCC(C)CN(CC(C)C)C(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C18H30N2O.ClH/c1-13(2)11-20(12-14(3)4)18(21)15(5)17(19)16-9-7-6-8-10-16;/h6-10,13-15,17H,11-12,19H2,1-5H3;1H
InChIKeyIRNNPNILNBNCMS-UHFFFAOYSA-N
XLogP3.88
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.91
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N,N-bis(2-methylpropyl)-2-phenylacetamide
CID 104897188
3-amino-N-ethyl-N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide
CID 80552105
N,N-bis(2-methylpropyl)-2-phenylbutanamide
CID 4080662
2-[(3-amino-2-methyl-3-phenylpropanoyl)-prop-2-enylamino]acetic acid
CID 80552743
3-amino-N-ethyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 80552219
2-[(3-amino-2-methyl-3-phenylpropanoyl)-methylamino]propanoic acid
CID 80552081
3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119737212
3-amino-N-(cyclopropylmethyl)-N,2-dimethyl-3-phenylpropanamide;hydrochloride
CID 119737873
3-amino-N-butyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
CID 119733462
3-amino-N,2-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-3-phenylpropanamide
CID 103812839
N,N-bis(2-methylpropyl)-2-phenyl-2-phenylsulfanylacetamide
CID 5102974
3-amino-N-(cyclobutylmethyl)-N-ethyl-2-methyl-3-phenylpropanamide
CID 107398357

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N,N-bis(2-methylpropyl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-2-methyl-N,N-bis(2-methylpropyl)-3-phenylpropanamide;hydrochloride (CID 119669067) is 3-amino-2-methyl-N,N-bis(2-methylpropyl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N,N-bis(2-methylpropyl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-N,N-bis(2-methylpropyl)-3-phenylpropanamide;hydrochloride is CC(C)CN(CC(C)C)C(=O)C(C)C(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-2-methyl-N,N-bis(2-methylpropyl)-3-phenylpropanamide;hydrochloride?
The InChIKey is IRNNPNILNBNCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O.ClH/c1-13(2)11-20(12-14(3)4)18(21)15(5)17(19)16-9-7-6-8-10-16;/h6-10,13-15,17H,11-12,19H2,1-5H3;1H.
What are the key properties of 3-amino-2-methyl-N,N-bis(2-methylpropyl)-3-phenylpropanamide;hydrochloride?
3-amino-2-methyl-N,N-bis(2-methylpropyl)-3-phenylpropanamide;hydrochloride has a molecular weight of 326.91 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N,N-bis(2-methylpropyl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119669067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).