N-[(3-hydroxycyclobutyl)-phenylmethyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide

C24H29NO3 — CID 91762982

IUPACN-[(3-hydroxycyclobutyl)-phenylmethyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NC(c3ccccc3)C3CC(O)C3)CCCC2)cc1
InChIInChI=1S/C24H29NO3/c1-28-21-11-9-19(10-12-21)24(13-5-6-14-24)23(27)25-22(18-15-20(26)16-18)17-7-3-2-4-8-17/h2-4,7-12,18,20,22,26H,5-6,13-16H2,1H3,(H,25,27)
InChIKeyWEPBANYDSYEFCF-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.14
Rot. Bonds6

About N-[(3-hydroxycyclobutyl)-phenylmethyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide

N-[(3-hydroxycyclobutyl)-phenylmethyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide (PubChem CID 91762982) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-phenylmethyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-phenylmethyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
PubChem CID91762982
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC NameN-[(3-hydroxycyclobutyl)-phenylmethyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NC(c3ccccc3)C3CC(O)C3)CCCC2)cc1
InChIInChI=1S/C24H29NO3/c1-28-21-11-9-19(10-12-21)24(13-5-6-14-24)23(27)25-22(18-15-20(26)16-18)17-7-3-2-4-8-17/h2-4,7-12,18,20,22,26H,5-6,13-16H2,1H3,(H,25,27)
InChIKeyWEPBANYDSYEFCF-UHFFFAOYSA-N
XLogP4.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 91763442
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-(4-methoxyphenoxy)propan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 100615641
1-(4-methoxyphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide
CID 56645217
1-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 61253218
N-[cyclopentyl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 2964253
(2S)-2-(3-methoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]acetic acid
CID 178099809
N-[(R)-cyclopentyl(phenyl)methyl]-4-methoxybenzamide
CID 978301
N-ethyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 110487274
1-(4-methoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]cyclopentane-1-carboxamide
CID 94832583
N-[2-(4-methoxyphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 4682158

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-phenylmethyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-phenylmethyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide (CID 91762982) is N-[(3-hydroxycyclobutyl)-phenylmethyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-phenylmethyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-phenylmethyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide is COc1ccc(C2(C(=O)NC(c3ccccc3)C3CC(O)C3)CCCC2)cc1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-phenylmethyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide?
The InChIKey is WEPBANYDSYEFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3/c1-28-21-11-9-19(10-12-21)24(13-5-6-14-24)23(27)25-22(18-15-20(26)16-18)17-7-3-2-4-8-17/h2-4,7-12,18,20,22,26H,5-6,13-16H2,1H3,(H,25,27).
What are the key properties of N-[(3-hydroxycyclobutyl)-phenylmethyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide?
N-[(3-hydroxycyclobutyl)-phenylmethyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-phenylmethyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 91762982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).