N-(2-amino-2-phenylethyl)-1-benzylcyclopropane-1-carboxamide

C19H22N2O — CID 119529111

IUPACN-(2-amino-2-phenylethyl)-1-benzylcyclopropane-1-carboxamide
SMILESNC(CNC(=O)C1(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C19H22N2O/c20-17(16-9-5-2-6-10-16)14-21-18(22)19(11-12-19)13-15-7-3-1-4-8-15/h1-10,17H,11-14,20H2,(H,21,22)
InChIKeyLLOVPHATFLDTDS-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.83
Rot. Bonds6

About N-(2-amino-2-phenylethyl)-1-benzylcyclopropane-1-carboxamide

N-(2-amino-2-phenylethyl)-1-benzylcyclopropane-1-carboxamide (PubChem CID 119529111) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-1-benzylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-1-benzylcyclopropane-1-carboxamide
PubChem CID119529111
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-(2-amino-2-phenylethyl)-1-benzylcyclopropane-1-carboxamide
SMILESNC(CNC(=O)C1(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C19H22N2O/c20-17(16-9-5-2-6-10-16)14-21-18(22)19(11-12-19)13-15-7-3-1-4-8-15/h1-10,17H,11-14,20H2,(H,21,22)
InChIKeyLLOVPHATFLDTDS-UHFFFAOYSA-N
XLogP2.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-phenylethyl)-1-methylcyclopentane-1-carboxamide;hydrochloride
CID 119529565
benzyl N-(2-amino-2-phenylethyl)carbamate
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N-(2-amino-2-methylpropyl)-1-benzylcyclopropane-1-carboxamide
CID 119629469
(2-amino-2-phenylethyl)carbamic acid
CID 66941802
N-(2-amino-2-phenylethyl)-2-methylthiolane-2-carboxamide
CID 81452923
1-benzylcyclopropane-1-carboxylic acid
CID 562561
N-[(2S)-2-amino-2-phenylethyl]propanamide
CID 95015221
1-benzyl-N-[(2S)-2-hydroxy-2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide
CID 97224093
N-(1-aminohexan-2-yl)-1-benzylcyclopropane-1-carboxamide
CID 119667821
N-(4-aminocyclohexyl)-1-benzylcyclopropane-1-carboxamide
CID 119477938
N-(2-amino-2-phenylethyl)-2-(3-hydroxyphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-1-benzylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-1-benzylcyclopropane-1-carboxamide (CID 119529111) is N-(2-amino-2-phenylethyl)-1-benzylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-1-benzylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-1-benzylcyclopropane-1-carboxamide is NC(CNC(=O)C1(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-1-benzylcyclopropane-1-carboxamide?
The InChIKey is LLOVPHATFLDTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c20-17(16-9-5-2-6-10-16)14-21-18(22)19(11-12-19)13-15-7-3-1-4-8-15/h1-10,17H,11-14,20H2,(H,21,22).
What are the key properties of N-(2-amino-2-phenylethyl)-1-benzylcyclopropane-1-carboxamide?
N-(2-amino-2-phenylethyl)-1-benzylcyclopropane-1-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-1-benzylcyclopropane-1-carboxamide is sourced from PubChem (CID 119529111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).