1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide

C12H16N2O — CID 65465678

IUPAC1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(N)CC1)c1ccccc1
InChIInChI=1S/C12H16N2O/c1-9(10-5-3-2-4-6-10)14-11(15)12(13)7-8-12/h2-6,9H,7-8,13H2,1H3,(H,14,15)
InChIKeyZLCRMNCPUJSRGG-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.36
Rot. Bonds3

About 1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide

1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide (PubChem CID 65465678) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide
PubChem CID65465678
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(N)CC1)c1ccccc1
InChIInChI=1S/C12H16N2O/c1-9(10-5-3-2-4-6-10)14-11(15)12(13)7-8-12/h2-6,9H,7-8,13H2,1H3,(H,14,15)
InChIKeyZLCRMNCPUJSRGG-UHFFFAOYSA-N
XLogP1.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide
CID 81169221
4-amino-N-[(1R)-1-phenylethyl]oxane-4-carboxamide
CID 113280798
1-amino-N-[(1S)-1-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 81359922
1-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 81366451
1-N'-[(1S)-1-phenylethyl]cyclopropane-1,1-dicarboxamide
CID 68623726
1-amino-N-[1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119706519
1-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119716690
1-amino-N-[1-(2-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 65464635
1-amino-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide
CID 65465737
1-(aminomethyl)-N-(1-phenylethyl)cyclobutane-1-carboxamide
CID 80586699
1-amino-N-[1-(4-ethylphenyl)ethyl]cyclopentane-1-carboxamide
CID 60866681
1-(aminomethyl)-N-(1-phenylethyl)cyclopentane-1-carboxamide
CID 55037856

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide (CID 65465678) is 1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide is CC(NC(=O)C1(N)CC1)c1ccccc1.
What is the InChIKey of 1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide?
The InChIKey is ZLCRMNCPUJSRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9(10-5-3-2-4-6-10)14-11(15)12(13)7-8-12/h2-6,9H,7-8,13H2,1H3,(H,14,15).
What are the key properties of 1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide?
1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide has a molecular weight of 204.27 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 65465678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).