2-[diethylamino(phenyl)methyl]cyclopropane-1-carboxamide

C15H22N2O — CID 140575168

IUPAC2-[diethylamino(phenyl)methyl]cyclopropane-1-carboxamide
SMILESCCN(CC)C(c1ccccc1)C1CC1C(N)=O
InChIInChI=1S/C15H22N2O/c1-3-17(4-2)14(11-8-6-5-7-9-11)12-10-13(12)15(16)18/h5-9,12-14H,3-4,10H2,1-2H3,(H2,16,18)
InChIKeyVXTHFPQKHCLHCF-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.19
Rot. Bonds6

About 2-[diethylamino(phenyl)methyl]cyclopropane-1-carboxamide

2-[diethylamino(phenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 140575168) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[diethylamino(phenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-[diethylamino(phenyl)methyl]cyclopropane-1-carboxamide
PubChem CID140575168
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-[diethylamino(phenyl)methyl]cyclopropane-1-carboxamide
SMILESCCN(CC)C(c1ccccc1)C1CC1C(N)=O
InChIInChI=1S/C15H22N2O/c1-3-17(4-2)14(11-8-6-5-7-9-11)12-10-13(12)15(16)18/h5-9,12-14H,3-4,10H2,1-2H3,(H2,16,18)
InChIKeyVXTHFPQKHCLHCF-UHFFFAOYSA-N
XLogP2.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[dimethylamino(phenyl)methyl]cyclopropane-1-carboxylic acid
CID 116908350
cis-(1R,2S)-2-[amino(phenyl)methyl]-N,N-diethylcyclopropane-1-carboxamide
CID 71293368
trans-(1R,2R)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-methylcyclopropane-1-carboxamide
CID 129419786
(2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride
CID 66750067
2-[(2-amino-1-phenylethyl)-ethylamino]acetamide
CID 103101334
N,N,N',N'-tetraethyl-1,2-diphenylethane-1,2-diamine
CID 595707
2-[1-(diethylamino)-1-phenylethyl]cyclobutane-1-carboxamide
CID 140609140
2-[butyl(ethyl)amino]-2-phenylacetamide
CID 82041318
1-(diethylamino)ethyl 2,2-diphenylacetate
CID 23615531
3-amino-N-[2-(diethylamino)-2-phenylethyl]cyclopentane-1-carboxamide
CID 119399183
2-[2-(diethylamino)-2-phenylethyl]-1-ethylguanidine
CID 55064143
2-[benzyl(ethyl)amino]-3-methylbutanamide
CID 82041322

Frequently Asked Questions

What is the IUPAC name of 2-[diethylamino(phenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-[diethylamino(phenyl)methyl]cyclopropane-1-carboxamide (CID 140575168) is 2-[diethylamino(phenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-[diethylamino(phenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-[diethylamino(phenyl)methyl]cyclopropane-1-carboxamide is CCN(CC)C(c1ccccc1)C1CC1C(N)=O.
What is the InChIKey of 2-[diethylamino(phenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is VXTHFPQKHCLHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-17(4-2)14(11-8-6-5-7-9-11)12-10-13(12)15(16)18/h5-9,12-14H,3-4,10H2,1-2H3,(H2,16,18).
What are the key properties of 2-[diethylamino(phenyl)methyl]cyclopropane-1-carboxamide?
2-[diethylamino(phenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diethylamino(phenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 140575168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).