1-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopentane-1-carboxamide

C20H29NO4 — CID 124615693

IUPAC1-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)N(C)C[C@@H]3CCOC3)CCCC2)cc1OC
InChIInChI=1S/C20H29NO4/c1-21(13-15-8-11-25-14-15)19(22)20(9-4-5-10-20)16-6-7-17(23-2)18(12-16)24-3/h6-7,12,15H,4-5,8-11,13-14H2,1-3H3/t15-/m0/s1
InChIKeyRZWBBRNLGZLZRC-HNNXBMFYSA-N
MW347.46 g/mol
LogP3.01
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopentane-1-carboxamide

1-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopentane-1-carboxamide (PubChem CID 124615693) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopentane-1-carboxamide
PubChem CID124615693
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC Name1-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)N(C)C[C@@H]3CCOC3)CCCC2)cc1OC
InChIInChI=1S/C20H29NO4/c1-21(13-15-8-11-25-14-15)19(22)20(9-4-5-10-20)16-6-7-17(23-2)18(12-16)24-3/h6-7,12,15H,4-5,8-11,13-14H2,1-3H3/t15-/m0/s1
InChIKeyRZWBBRNLGZLZRC-HNNXBMFYSA-N
XLogP3.01
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopentane-1-carboxamide with MolForge

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]cyclopentane-1-carboxamide
CID 91791815
1-(3,4-dimethoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)cyclopentane-1-carboxamide
CID 90651852
N-[(2-hydroxycyclopentyl)methyl]-1-(3-methoxy-4-methylphenyl)-N-methylcyclopropane-1-carboxamide
CID 109399825
3-hydroxy-4-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 79673553
1-(3-bromophenyl)-N-(cyclopropylmethyl)-N-methylcyclopentane-1-carboxamide
CID 87025793
1-(3,4-dimethoxyphenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]cyclopentane-1-carboxamide
CID 119058740
1-amino-4-methoxy-N-methyl-N-(oxan-4-ylmethyl)-2,3-dihydroindene-1-carboxamide
CID 138010631
3-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-1-methyl-1-[[(3S)-oxan-3-yl]methyl]urea
CID 124729741
4-amino-5-chloro-2-methoxy-N-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 119814555
3-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109382518
1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide
CID 63713295
N-(3-amino-2,2-dimethylpropyl)-1-(3-methoxy-4-methylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119654019

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopentane-1-carboxamide (CID 124615693) is 1-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopentane-1-carboxamide is COc1ccc(C2(C(=O)N(C)C[C@@H]3CCOC3)CCCC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopentane-1-carboxamide?
The InChIKey is RZWBBRNLGZLZRC-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-21(13-15-8-11-25-14-15)19(22)20(9-4-5-10-20)16-6-7-17(23-2)18(12-16)24-3/h6-7,12,15H,4-5,8-11,13-14H2,1-3H3/t15-/m0/s1.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopentane-1-carboxamide?
1-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopentane-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 124615693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).