N'-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]oxamide

C16H22N2O4 — CID 27262045

IUPACN'-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]oxamide
SMILESCOc1ccc(C2(CNC(=O)C(N)=O)CCCC2)cc1OC
InChIInChI=1S/C16H22N2O4/c1-21-12-6-5-11(9-13(12)22-2)16(7-3-4-8-16)10-18-15(20)14(17)19/h5-6,9H,3-4,7-8,10H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyRARRRHSGHIOUTG-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.12
Rot. Bonds5

About N'-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]oxamide

N'-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]oxamide (PubChem CID 27262045) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N'-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]oxamide.

Molecular Properties

Compound NameN'-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]oxamide
PubChem CID27262045
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN'-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]oxamide
SMILESCOc1ccc(C2(CNC(=O)C(N)=O)CCCC2)cc1OC
InChIInChI=1S/C16H22N2O4/c1-21-12-6-5-11(9-13(12)22-2)16(7-3-4-8-16)10-18-15(20)14(17)19/h5-6,9H,3-4,7-8,10H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyRARRRHSGHIOUTG-UHFFFAOYSA-N
XLogP1.12
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]acetamide;hydrochloride
CID 119325911
4-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methylamino]-4-oxobutanoate
CID 3678737
N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 1149690
4-(aminomethyl)-N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120932991
methyl 3-[[N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-N'-methylcarbamimidoyl]amino]-2-methylpropanoate
CID 111580877
[1-(3,4-dimethoxyphenyl)cyclopentyl]methanol
CID 13128207
N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]propan-2-amine
CID 62594582
3-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-1,1,2-trimethylguanidine
CID 111580985
4-[[[N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111580807
(E)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(4-fluorophenyl)prop-2-enamide
CID 1322060
3-(5-bromo-2-methoxyphenyl)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]prop-2-enamide
CID 74526798
4-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzamide
CID 110442796

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]oxamide?
The IUPAC name of N'-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]oxamide (CID 27262045) is N'-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]oxamide.
What is the SMILES notation for N'-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]oxamide?
The canonical SMILES for N'-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]oxamide is COc1ccc(C2(CNC(=O)C(N)=O)CCCC2)cc1OC.
What is the InChIKey of N'-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]oxamide?
The InChIKey is RARRRHSGHIOUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-21-12-6-5-11(9-13(12)22-2)16(7-3-4-8-16)10-18-15(20)14(17)19/h5-6,9H,3-4,7-8,10H2,1-2H3,(H2,17,19)(H,18,20).
What are the key properties of N'-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]oxamide?
N'-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]oxamide has a molecular weight of 306.36 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]oxamide is sourced from PubChem (CID 27262045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).