N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-1-phenylcyclopentane-1-carboxamide

C22H27NO3 — CID 100615641

IUPACN-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-1-phenylcyclopentane-1-carboxamide
SMILESCOc1ccc(OC[C@H](C)NC(=O)C2(c3ccccc3)CCCC2)cc1
InChIInChI=1S/C22H27NO3/c1-17(16-26-20-12-10-19(25-2)11-13-20)23-21(24)22(14-6-7-15-22)18-8-4-3-5-9-18/h3-5,8-13,17H,6-7,14-16H2,1-2H3,(H,23,24)/t17-/m0/s1
InChIKeyQNZIVWMJNGKCDA-KRWDZBQOSA-N
MW353.46 g/mol
LogP4.09
Rot. Bonds7

About N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-1-phenylcyclopentane-1-carboxamide

N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-1-phenylcyclopentane-1-carboxamide (PubChem CID 100615641) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-1-phenylcyclopentane-1-carboxamide
PubChem CID100615641
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC NameN-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-1-phenylcyclopentane-1-carboxamide
SMILESCOc1ccc(OC[C@H](C)NC(=O)C2(c3ccccc3)CCCC2)cc1
InChIInChI=1S/C22H27NO3/c1-17(16-26-20-12-10-19(25-2)11-13-20)23-21(24)22(14-6-7-15-22)18-8-4-3-5-9-18/h3-5,8-13,17H,6-7,14-16H2,1-2H3,(H,23,24)/t17-/m0/s1
InChIKeyQNZIVWMJNGKCDA-KRWDZBQOSA-N
XLogP4.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methoxypropan-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 134057156
N-[1-(4-methoxyphenyl)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 110437540
(2S)-3-(4-methoxyphenyl)-2-[(1-phenylcyclopentanecarbonyl)amino]propanoic acid
CID 54228911
N-[(2S)-1-aminopropan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 120505049
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide
CID 1220424
N-[2-(4-methoxyphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 4682158
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 79245883
4-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide
CID 4250680
N-[1-(4-fluorophenoxy)propan-2-yl]-1-hydroxycyclopentane-1-carboxamide
CID 110907559
1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)cyclopentane-1-carboxamide
CID 46642602
3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]-2-methylpropanoic acid
CID 119237635
3-(4-methoxyphenyl)-N-[(2R)-1-phenoxypropan-2-yl]propanamide
CID 94625030

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-1-phenylcyclopentane-1-carboxamide (CID 100615641) is N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-1-phenylcyclopentane-1-carboxamide is COc1ccc(OC[C@H](C)NC(=O)C2(c3ccccc3)CCCC2)cc1.
What is the InChIKey of N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-1-phenylcyclopentane-1-carboxamide?
The InChIKey is QNZIVWMJNGKCDA-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H27NO3/c1-17(16-26-20-12-10-19(25-2)11-13-20)23-21(24)22(14-6-7-15-22)18-8-4-3-5-9-18/h3-5,8-13,17H,6-7,14-16H2,1-2H3,(H,23,24)/t17-/m0/s1.
What are the key properties of N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-1-phenylcyclopentane-1-carboxamide?
N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-1-phenylcyclopentane-1-carboxamide has a molecular weight of 353.46 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 100615641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).