N-(3-amino-3-phenylpropyl)cyclopropanecarboxamide

C13H18N2O — CID 80506627

IUPACN-(3-amino-3-phenylpropyl)cyclopropanecarboxamide
SMILESNC(CCNC(=O)C1CC1)c1ccccc1
InChIInChI=1S/C13H18N2O/c14-12(10-4-2-1-3-5-10)8-9-15-13(16)11-6-7-11/h1-5,11-12H,6-9,14H2,(H,15,16)
InChIKeyZONOLBULCDRWTE-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.60
Rot. Bonds5

About N-(3-amino-3-phenylpropyl)cyclopropanecarboxamide

N-(3-amino-3-phenylpropyl)cyclopropanecarboxamide (PubChem CID 80506627) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(3-amino-3-phenylpropyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3-amino-3-phenylpropyl)cyclopropanecarboxamide
PubChem CID80506627
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-(3-amino-3-phenylpropyl)cyclopropanecarboxamide
SMILESNC(CCNC(=O)C1CC1)c1ccccc1
InChIInChI=1S/C13H18N2O/c14-12(10-4-2-1-3-5-10)8-9-15-13(16)11-6-7-11/h1-5,11-12H,6-9,14H2,(H,15,16)
InChIKeyZONOLBULCDRWTE-UHFFFAOYSA-N
XLogP1.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-3-phenylpropyl)oxane-4-carboxamide
CID 80506614
N-(3-amino-3-phenylpropyl)cyclohex-3-ene-1-carboxamide
CID 80506610
N-[(3S)-5-hydroxy-3-phenylpentyl]cyclopropanecarboxamide
CID 99872804
N-(3-amino-3-phenylpropyl)oxane-2-carboxamide
CID 80506763
N-(3-hydroxy-3-phenylpropyl)-4-methylcyclohexane-1-carboxamide
CID 111471611
4-(aminomethyl)-N-(3-phenylbutyl)cyclohexane-1-carboxamide
CID 79519273
N-(3-amino-3-phenylpropyl)benzamide
CID 80506685
N-(3-amino-3-phenylpropyl)-2-cycloheptylacetamide
CID 114458464
1-(3-amino-3-phenylpropyl)-3-cyclohexylurea
CID 80506800
N-[2-(3,3-diphenylpropanoylamino)ethyl]cyclopropanecarboxamide
CID 51153212
N-[2-[(3-amino-2-phenylpropanoyl)amino]ethyl]cyclopropanecarboxamide
CID 115738013
N-(3-amino-3-phenylpropyl)-2-ethylbutanamide
CID 80506593

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-phenylpropyl)cyclopropanecarboxamide?
The IUPAC name of N-(3-amino-3-phenylpropyl)cyclopropanecarboxamide (CID 80506627) is N-(3-amino-3-phenylpropyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(3-amino-3-phenylpropyl)cyclopropanecarboxamide?
The canonical SMILES for N-(3-amino-3-phenylpropyl)cyclopropanecarboxamide is NC(CCNC(=O)C1CC1)c1ccccc1.
What is the InChIKey of N-(3-amino-3-phenylpropyl)cyclopropanecarboxamide?
The InChIKey is ZONOLBULCDRWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c14-12(10-4-2-1-3-5-10)8-9-15-13(16)11-6-7-11/h1-5,11-12H,6-9,14H2,(H,15,16).
What are the key properties of N-(3-amino-3-phenylpropyl)cyclopropanecarboxamide?
N-(3-amino-3-phenylpropyl)cyclopropanecarboxamide has a molecular weight of 218.30 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-phenylpropyl)cyclopropanecarboxamide is sourced from PubChem (CID 80506627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).