N-[(1S)-1-(4-cyanophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide

C19H18N2O — CID 33361071

IUPACN-[(1S)-1-(4-cyanophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)C1(c2ccccc2)CC1)c1ccc(C#N)cc1
InChIInChI=1S/C19H18N2O/c1-14(16-9-7-15(13-20)8-10-16)21-18(22)19(11-12-19)17-5-3-2-4-6-17/h2-10,14H,11-12H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyGBCDJJGQSSLQPF-AWEZNQCLSA-N
MW290.37 g/mol
LogP3.47
Rot. Bonds4

About N-[(1S)-1-(4-cyanophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide

N-[(1S)-1-(4-cyanophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 33361071) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[(1S)-1-(4-cyanophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-cyanophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
PubChem CID33361071
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC NameN-[(1S)-1-(4-cyanophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)C1(c2ccccc2)CC1)c1ccc(C#N)cc1
InChIInChI=1S/C19H18N2O/c1-14(16-9-7-15(13-20)8-10-16)21-18(22)19(11-12-19)17-5-3-2-4-6-17/h2-10,14H,11-12H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyGBCDJJGQSSLQPF-AWEZNQCLSA-N
XLogP3.47
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-cyanophenyl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 56811633
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 26071120
1-[4-(4-cyanophenyl)piperazine-1-carbonyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 59527808
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-phenylethyl]urea
CID 38288341
N-[1-(4-methoxyphenyl)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 110437540
N-[1-(4-methylsulfonylphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 133165833
1-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 51199191
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea
CID 94023184
1-acetyl-N-[1-(4-chlorophenyl)ethyl]-4-phenylpiperidine-4-carboxamide
CID 55368369
(2S)-2-[(1-phenylcyclopropanecarbonyl)amino]propanoic acid
CID 54432657
1-cyano-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
CID 99703015
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-4-phenyloxane-4-carboxamide
CID 100771023

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-cyanophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[(1S)-1-(4-cyanophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide (CID 33361071) is N-[(1S)-1-(4-cyanophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-cyanophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-cyanophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide is C[C@H](NC(=O)C1(c2ccccc2)CC1)c1ccc(C#N)cc1.
What is the InChIKey of N-[(1S)-1-(4-cyanophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is GBCDJJGQSSLQPF-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18N2O/c1-14(16-9-7-15(13-20)8-10-16)21-18(22)19(11-12-19)17-5-3-2-4-6-17/h2-10,14H,11-12H2,1H3,(H,21,22)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(4-cyanophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide?
N-[(1S)-1-(4-cyanophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-cyanophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 33361071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).