1-(3,4-dimethoxyphenyl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]cyclopentane-1-carboxamide

C19H27NO5 — CID 91791815

IUPAC1-(3,4-dimethoxyphenyl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)N[C@@H]3COCC[C@H]3O)CCCC2)cc1OC
InChIInChI=1S/C19H27NO5/c1-23-16-6-5-13(11-17(16)24-2)19(8-3-4-9-19)18(22)20-14-12-25-10-7-15(14)21/h5-6,11,14-15,21H,3-4,7-10,12H2,1-2H3,(H,20,22)/t14-,15-/m1/s1
InChIKeyCKDLOVPWEBDPEP-HUUCEWRRSA-N
MW349.43 g/mol
LogP1.78
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]cyclopentane-1-carboxamide

1-(3,4-dimethoxyphenyl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]cyclopentane-1-carboxamide (PubChem CID 91791815) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]cyclopentane-1-carboxamide
PubChem CID91791815
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Name1-(3,4-dimethoxyphenyl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)N[C@@H]3COCC[C@H]3O)CCCC2)cc1OC
InChIInChI=1S/C19H27NO5/c1-23-16-6-5-13(11-17(16)24-2)19(8-3-4-9-19)18(22)20-14-12-25-10-7-15(14)21/h5-6,11,14-15,21H,3-4,7-10,12H2,1-2H3,(H,20,22)/t14-,15-/m1/s1
InChIKeyCKDLOVPWEBDPEP-HUUCEWRRSA-N
XLogP1.78
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)cyclopropane-1-carboxamide
CID 110438036
1-(3,4-dimethoxyphenyl)-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)cyclopentane-1-carboxamide
CID 138999843
1-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopentane-1-carboxamide
CID 124615693
N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 128649441
N-(1-cyanoethyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 84597029
N-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 1324116
1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 19976886
1-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 1234744
N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 1329491
N-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)oxane-4-carboxamide
CID 29134635
N-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 2014049
cis-(1S,3R)-3-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674963

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]cyclopentane-1-carboxamide (CID 91791815) is 1-(3,4-dimethoxyphenyl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]cyclopentane-1-carboxamide is COc1ccc(C2(C(=O)N[C@@H]3COCC[C@H]3O)CCCC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]cyclopentane-1-carboxamide?
The InChIKey is CKDLOVPWEBDPEP-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H27NO5/c1-23-16-6-5-13(11-17(16)24-2)19(8-3-4-9-19)18(22)20-14-12-25-10-7-15(14)21/h5-6,11,14-15,21H,3-4,7-10,12H2,1-2H3,(H,20,22)/t14-,15-/m1/s1.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]cyclopentane-1-carboxamide?
1-(3,4-dimethoxyphenyl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]cyclopentane-1-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 91791815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).