3-amino-3-phenyl-N-[(1-propan-2-ylcyclopropyl)methyl]propanamide;hydrochloride

C16H25ClN2O — CID 119951995

IUPAC3-amino-3-phenyl-N-[(1-propan-2-ylcyclopropyl)methyl]propanamide;hydrochloride
SMILESCC(C)C1(CNC(=O)CC(N)c2ccccc2)CC1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-12(2)16(8-9-16)11-18-15(19)10-14(17)13-6-4-3-5-7-13;/h3-7,12,14H,8-11,17H2,1-2H3,(H,18,19);1H
InChIKeyLWASSURPMVXEPB-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.05
Rot. Bonds6

About 3-amino-3-phenyl-N-[(1-propan-2-ylcyclopropyl)methyl]propanamide;hydrochloride

3-amino-3-phenyl-N-[(1-propan-2-ylcyclopropyl)methyl]propanamide;hydrochloride (PubChem CID 119951995) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 3-amino-3-phenyl-N-[(1-propan-2-ylcyclopropyl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-3-phenyl-N-[(1-propan-2-ylcyclopropyl)methyl]propanamide;hydrochloride
PubChem CID119951995
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name3-amino-3-phenyl-N-[(1-propan-2-ylcyclopropyl)methyl]propanamide;hydrochloride
SMILESCC(C)C1(CNC(=O)CC(N)c2ccccc2)CC1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-12(2)16(8-9-16)11-18-15(19)10-14(17)13-6-4-3-5-7-13;/h3-7,12,14H,8-11,17H2,1-2H3,(H,18,19);1H
InChIKeyLWASSURPMVXEPB-UHFFFAOYSA-N
XLogP3.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-phenyl-N-[(1-propan-2-ylcyclopropyl)methyl]acetamide;hydrochloride
CID 119333913
3-amino-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119952491
3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-phenylpropanamide;hydrochloride
CID 119952000
3-amino-N-(1-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119950222
3-amino-3-phenyl-N-(2-phenylpropyl)propanamide
CID 61253056
3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119950889
3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119951552
methyl 3-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate
CID 119951074
3-amino-N-(2-methylbutyl)-3-phenylpropanamide
CID 62693740
3-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-phenylpropanamide
CID 119951110
3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide
CID 122080831
3-[(3-amino-3-phenylpropanoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66175762

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenyl-N-[(1-propan-2-ylcyclopropyl)methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-3-phenyl-N-[(1-propan-2-ylcyclopropyl)methyl]propanamide;hydrochloride (CID 119951995) is 3-amino-3-phenyl-N-[(1-propan-2-ylcyclopropyl)methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-3-phenyl-N-[(1-propan-2-ylcyclopropyl)methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-3-phenyl-N-[(1-propan-2-ylcyclopropyl)methyl]propanamide;hydrochloride is CC(C)C1(CNC(=O)CC(N)c2ccccc2)CC1.Cl.
What is the InChIKey of 3-amino-3-phenyl-N-[(1-propan-2-ylcyclopropyl)methyl]propanamide;hydrochloride?
The InChIKey is LWASSURPMVXEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-12(2)16(8-9-16)11-18-15(19)10-14(17)13-6-4-3-5-7-13;/h3-7,12,14H,8-11,17H2,1-2H3,(H,18,19);1H.
What are the key properties of 3-amino-3-phenyl-N-[(1-propan-2-ylcyclopropyl)methyl]propanamide;hydrochloride?
3-amino-3-phenyl-N-[(1-propan-2-ylcyclopropyl)methyl]propanamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenyl-N-[(1-propan-2-ylcyclopropyl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 119951995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).