trans-(1S,2S)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide

C19H21NO2 — CID 72947289

IUPACtrans-(1S,2S)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
SMILESCOc1ccccc1[C@H](C)NC(=O)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C19H21NO2/c1-13(15-10-6-7-11-18(15)22-2)20-19(21)17-12-16(17)14-8-4-3-5-9-14/h3-11,13,16-17H,12H2,1-2H3,(H,20,21)/t13-,16+,17-/m0/s1
InChIKeyIOURQKMDKPPZKI-XKQJLSEDSA-N
MW295.38 g/mol
LogP3.68
Rot. Bonds5

About trans-(1S,2S)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 72947289) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is trans-(1S,2S)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID72947289
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Nametrans-(1S,2S)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
SMILESCOc1ccccc1[C@H](C)NC(=O)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C19H21NO2/c1-13(15-10-6-7-11-18(15)22-2)20-19(21)17-12-16(17)14-8-4-3-5-9-14/h3-11,13,16-17H,12H2,1-2H3,(H,20,21)/t13-,16+,17-/m0/s1
InChIKeyIOURQKMDKPPZKI-XKQJLSEDSA-N
XLogP3.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(2-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 81388024
N-[1-(2-methoxyphenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 55228822
trans-(1R,2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 124719319
2-amino-N-[1-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119683016
3-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 81387626
methyl 4-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]pentanoate
CID 78971251
2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 81390427
N-methoxy-2-phenylcyclopropane-1-carboxamide
CID 72524749
cis-(1S,2R)-N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 124840237
2-(2-hydroxyphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]acetic acid
CID 146236952
N-(4-bromobutan-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 83180682
N-[2-methoxy-4-[3-methoxy-4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]phenyl]-2-phenylcyclopropane-1-carboxamide
CID 3698096

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide (CID 72947289) is trans-(1S,2S)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide is COc1ccccc1[C@H](C)NC(=O)[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of trans-(1S,2S)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is IOURQKMDKPPZKI-XKQJLSEDSA-N. The full InChI is InChI=1S/C19H21NO2/c1-13(15-10-6-7-11-18(15)22-2)20-19(21)17-12-16(17)14-8-4-3-5-9-14/h3-11,13,16-17H,12H2,1-2H3,(H,20,21)/t13-,16+,17-/m0/s1.
What are the key properties of trans-(1S,2S)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 72947289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).