N-[(3-hydroxycyclohexyl)methyl]-1-(3-methoxyphenyl)cyclopentane-1-carboxamide

C20H29NO3 — CID 111460242

IUPACN-[(3-hydroxycyclohexyl)methyl]-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1cccc(C2(C(=O)NCC3CCCC(O)C3)CCCC2)c1
InChIInChI=1S/C20H29NO3/c1-24-18-9-5-7-16(13-18)20(10-2-3-11-20)19(23)21-14-15-6-4-8-17(22)12-15/h5,7,9,13,15,17,22H,2-4,6,8,10-12,14H2,1H3,(H,21,23)
InChIKeyHZEGVEMPDDXKLX-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.17
Rot. Bonds5

About N-[(3-hydroxycyclohexyl)methyl]-1-(3-methoxyphenyl)cyclopentane-1-carboxamide

N-[(3-hydroxycyclohexyl)methyl]-1-(3-methoxyphenyl)cyclopentane-1-carboxamide (PubChem CID 111460242) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-1-(3-methoxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
PubChem CID111460242
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1cccc(C2(C(=O)NCC3CCCC(O)C3)CCCC2)c1
InChIInChI=1S/C20H29NO3/c1-24-18-9-5-7-16(13-18)20(10-2-3-11-20)19(23)21-14-15-6-4-8-17(22)12-15/h5,7,9,13,15,17,22H,2-4,6,8,10-12,14H2,1H3,(H,21,23)
InChIKeyHZEGVEMPDDXKLX-UHFFFAOYSA-N
XLogP3.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxycyclohexyl)methyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 111459667
N-(2-aminoethyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 119383272
N-(2-amino-2-methylpropyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 119627481
N-[2-(aminomethyl)cyclopentyl]-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 119602262
N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103691139
cis-(1S,3R)-3-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676107
2-[(3-hydroxycyclohexyl)methylamino]-N-(3-methoxyphenyl)acetamide
CID 106132626
3-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]-2-phenylpropanoic acid
CID 119255048
1-(4-methoxyphenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]cyclopentane-1-carboxamide
CID 95214855
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 120891099
N-(2-amino-1-cyclopropylethyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119614549
N-(cyclopropylmethyl)-1-phenylcyclobutane-1-carboxamide
CID 34832176

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-1-(3-methoxyphenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-1-(3-methoxyphenyl)cyclopentane-1-carboxamide (CID 111460242) is N-[(3-hydroxycyclohexyl)methyl]-1-(3-methoxyphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-1-(3-methoxyphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-1-(3-methoxyphenyl)cyclopentane-1-carboxamide is COc1cccc(C2(C(=O)NCC3CCCC(O)C3)CCCC2)c1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-1-(3-methoxyphenyl)cyclopentane-1-carboxamide?
The InChIKey is HZEGVEMPDDXKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3/c1-24-18-9-5-7-16(13-18)20(10-2-3-11-20)19(23)21-14-15-6-4-8-17(22)12-15/h5,7,9,13,15,17,22H,2-4,6,8,10-12,14H2,1H3,(H,21,23).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-1-(3-methoxyphenyl)cyclopentane-1-carboxamide?
N-[(3-hydroxycyclohexyl)methyl]-1-(3-methoxyphenyl)cyclopentane-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-1-(3-methoxyphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 111460242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).