trans-(1R,2S)-2-phenylmethoxy-1-[(2R)-2-phenylpropyl]cyclopentane-1-carboxamide

C22H27NO2 — CID 58132177

IUPACtrans-(1R,2S)-2-phenylmethoxy-1-[(2R)-2-phenylpropyl]cyclopentane-1-carboxamide
SMILESC[C@H](C[C@]1(C(N)=O)CCC[C@@H]1OCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO2/c1-17(19-11-6-3-7-12-19)15-22(21(23)24)14-8-13-20(22)25-16-18-9-4-2-5-10-18/h2-7,9-12,17,20H,8,13-16H2,1H3,(H2,23,24)/t17-,20+,22-/m1/s1
InChIKeySDGYENXAWXTQPK-PIPMEXSNSA-N
MW337.46 g/mol
LogP4.42
Rot. Bonds7

About trans-(1R,2S)-2-phenylmethoxy-1-[(2R)-2-phenylpropyl]cyclopentane-1-carboxamide

trans-(1R,2S)-2-phenylmethoxy-1-[(2R)-2-phenylpropyl]cyclopentane-1-carboxamide (PubChem CID 58132177) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is trans-(1R,2S)-2-phenylmethoxy-1-[(2R)-2-phenylpropyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2S)-2-phenylmethoxy-1-[(2R)-2-phenylpropyl]cyclopentane-1-carboxamide
PubChem CID58132177
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Nametrans-(1R,2S)-2-phenylmethoxy-1-[(2R)-2-phenylpropyl]cyclopentane-1-carboxamide
SMILESC[C@H](C[C@]1(C(N)=O)CCC[C@@H]1OCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO2/c1-17(19-11-6-3-7-12-19)15-22(21(23)24)14-8-13-20(22)25-16-18-9-4-2-5-10-18/h2-7,9-12,17,20H,8,13-16H2,1H3,(H2,23,24)/t17-,20+,22-/m1/s1
InChIKeySDGYENXAWXTQPK-PIPMEXSNSA-N
XLogP4.42
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Ethyl-2-phenyl-2-(trifluoromethoxy)cyclohexane-1-carboxamide
CID 69791399
2-[3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-phenylcyclobutyl]acetamide
CID 89058328
4-[4-[(R)-[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]cyclohex-3-ene-1-carboxamide
CID 145467397
3-[3-[(1S,2R,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)-1-methylcyclopentyl]cyclobutyl]propanamide
CID 164034234
6-(3-Methylphenyl)-6-(1,1,1-trifluoropropan-2-yloxy)cyclohexa-2,4-diene-1-carboxamide
CID 175777497
1-[(1R,2S,4R)-1-phenyl-2-phenylmethoxy-4-prop-1-en-2-ylcyclopentyl]ethanone
CID 15396403
(2R)-2-phenyl-3-phenylmethoxypropanamide
CID 101216590
(2R)-2-(phenylmethoxymethyl)decanamide
CID 101216591
(2R)-2-(phenylmethoxymethyl)octadecanamide
CID 101216592
(1R,2R,3S)-N-tert-butyl-2-methyl-2-phenyl-3-phenylmethoxycyclopropane-1-carboxamide
CID 102497858
(2R,3R,4S)-3-(2,2-dimethylpropanoyl)-4-ethenyl-2,4-diphenyloxolane-3-carbonitrile
CID 122225002
cis-(2R,4S)-4-ethyl-2-phenyl-2-(phenylmethoxymethyl)cyclopentane-1,3-dione
CID 134945876

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-phenylmethoxy-1-[(2R)-2-phenylpropyl]cyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,2S)-2-phenylmethoxy-1-[(2R)-2-phenylpropyl]cyclopentane-1-carboxamide (CID 58132177) is trans-(1R,2S)-2-phenylmethoxy-1-[(2R)-2-phenylpropyl]cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,2S)-2-phenylmethoxy-1-[(2R)-2-phenylpropyl]cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,2S)-2-phenylmethoxy-1-[(2R)-2-phenylpropyl]cyclopentane-1-carboxamide is C[C@H](C[C@]1(C(N)=O)CCC[C@@H]1OCc1ccccc1)c1ccccc1.
What is the InChIKey of trans-(1R,2S)-2-phenylmethoxy-1-[(2R)-2-phenylpropyl]cyclopentane-1-carboxamide?
The InChIKey is SDGYENXAWXTQPK-PIPMEXSNSA-N. The full InChI is InChI=1S/C22H27NO2/c1-17(19-11-6-3-7-12-19)15-22(21(23)24)14-8-13-20(22)25-16-18-9-4-2-5-10-18/h2-7,9-12,17,20H,8,13-16H2,1H3,(H2,23,24)/t17-,20+,22-/m1/s1.
What are the key properties of trans-(1R,2S)-2-phenylmethoxy-1-[(2R)-2-phenylpropyl]cyclopentane-1-carboxamide?
trans-(1R,2S)-2-phenylmethoxy-1-[(2R)-2-phenylpropyl]cyclopentane-1-carboxamide has a molecular weight of 337.46 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-phenylmethoxy-1-[(2R)-2-phenylpropyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 58132177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).