7-amino-N-(1-cyclopropyl-2-phenylethyl)heptanamide;hydrochloride

C18H29ClN2O — CID 119796894

IUPAC7-amino-N-(1-cyclopropyl-2-phenylethyl)heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NC(Cc1ccccc1)C1CC1
InChIInChI=1S/C18H28N2O.ClH/c19-13-7-2-1-6-10-18(21)20-17(16-11-12-16)14-15-8-4-3-5-9-15;/h3-5,8-9,16-17H,1-2,6-7,10-14,19H2,(H,20,21);1H
InChIKeyJUIZDORCSFBCNW-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.45
Rot. Bonds10

About 7-amino-N-(1-cyclopropyl-2-phenylethyl)heptanamide;hydrochloride

7-amino-N-(1-cyclopropyl-2-phenylethyl)heptanamide;hydrochloride (PubChem CID 119796894) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is 7-amino-N-(1-cyclopropyl-2-phenylethyl)heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-(1-cyclopropyl-2-phenylethyl)heptanamide;hydrochloride
PubChem CID119796894
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC Name7-amino-N-(1-cyclopropyl-2-phenylethyl)heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NC(Cc1ccccc1)C1CC1
InChIInChI=1S/C18H28N2O.ClH/c19-13-7-2-1-6-10-18(21)20-17(16-11-12-16)14-15-8-4-3-5-9-15;/h3-5,8-9,16-17H,1-2,6-7,10-14,19H2,(H,20,21);1H
InChIKeyJUIZDORCSFBCNW-UHFFFAOYSA-N
XLogP3.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-amino-N-[cyclopropyl(phenyl)methyl]heptanamide;hydrochloride
CID 119698485
N-(2-amino-1-cyclopropylethyl)-4-phenylbutanamide
CID 65189008
6-amino-N-(1,2-diphenylethyl)hexanamide
CID 42792343
3-cyclopropyl-3-(4-phenylbutanoylamino)propanoic acid
CID 81361645
6-amino-N-[(2S)-4-methyl-3-oxo-1-phenylpentan-2-yl]hexanamide
CID 167344958
4-amino-N-(1-phenylpropan-2-yl)butanamide;hydrochloride
CID 138397977
6-amino-N-[1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]hexanamide
CID 3951610
4-[(1-cyclopropyl-2-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673788
1-[(1R)-1-cyclopropyl-2-phenylethyl]-3-methoxyurea
CID 95632300
N-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride
CID 119260925
(2S)-2-[[10-[[(1S)-1-carboxy-2-phenylethyl]amino]-10-oxodecanoyl]amino]-3-phenylpropanoic acid
CID 22869856
(2R)-2-[[10-[[(1S)-1-carboxy-2-phenylethyl]amino]-10-oxodecanoyl]amino]-3-phenylpropanoic acid
CID 27154395

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(1-cyclopropyl-2-phenylethyl)heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-(1-cyclopropyl-2-phenylethyl)heptanamide;hydrochloride (CID 119796894) is 7-amino-N-(1-cyclopropyl-2-phenylethyl)heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-(1-cyclopropyl-2-phenylethyl)heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-(1-cyclopropyl-2-phenylethyl)heptanamide;hydrochloride is Cl.NCCCCCCC(=O)NC(Cc1ccccc1)C1CC1.
What is the InChIKey of 7-amino-N-(1-cyclopropyl-2-phenylethyl)heptanamide;hydrochloride?
The InChIKey is JUIZDORCSFBCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c19-13-7-2-1-6-10-18(21)20-17(16-11-12-16)14-15-8-4-3-5-9-15;/h3-5,8-9,16-17H,1-2,6-7,10-14,19H2,(H,20,21);1H.
What are the key properties of 7-amino-N-(1-cyclopropyl-2-phenylethyl)heptanamide;hydrochloride?
7-amino-N-(1-cyclopropyl-2-phenylethyl)heptanamide;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 3.45, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(1-cyclopropyl-2-phenylethyl)heptanamide;hydrochloride is sourced from PubChem (CID 119796894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).