1-[1-(3,4-dimethoxyphenyl)ethylcarbamoylamino]cyclopentane-1-carboxamide

C17H25N3O4 — CID 122571672

IUPAC1-[1-(3,4-dimethoxyphenyl)ethylcarbamoylamino]cyclopentane-1-carboxamide
SMILESCOc1ccc(C(C)NC(=O)NC2(C(N)=O)CCCC2)cc1OC
InChIInChI=1S/C17H25N3O4/c1-11(12-6-7-13(23-2)14(10-12)24-3)19-16(22)20-17(15(18)21)8-4-5-9-17/h6-7,10-11H,4-5,8-9H2,1-3H3,(H2,18,21)(H2,19,20,22)
InChIKeyLWVTYDAGPPOHGY-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.86
Rot. Bonds6

About 1-[1-(3,4-dimethoxyphenyl)ethylcarbamoylamino]cyclopentane-1-carboxamide

1-[1-(3,4-dimethoxyphenyl)ethylcarbamoylamino]cyclopentane-1-carboxamide (PubChem CID 122571672) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-[1-(3,4-dimethoxyphenyl)ethylcarbamoylamino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[1-(3,4-dimethoxyphenyl)ethylcarbamoylamino]cyclopentane-1-carboxamide
PubChem CID122571672
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name1-[1-(3,4-dimethoxyphenyl)ethylcarbamoylamino]cyclopentane-1-carboxamide
SMILESCOc1ccc(C(C)NC(=O)NC2(C(N)=O)CCCC2)cc1OC
InChIInChI=1S/C17H25N3O4/c1-11(12-6-7-13(23-2)14(10-12)24-3)19-16(22)20-17(15(18)21)8-4-5-9-17/h6-7,10-11H,4-5,8-9H2,1-3H3,(H2,18,21)(H2,19,20,22)
InChIKeyLWVTYDAGPPOHGY-UHFFFAOYSA-N
XLogP1.86
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoyl]amino]cyclopentane-1-carboxylic acid
CID 126450530
1-acetamido-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 55964151
1-(1-phenylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61186922
1-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119288209
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119720011
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 17329435
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide
CID 108507825
(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpentanamide
CID 61166177
1-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119296520
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(2-methoxyphenoxy)methyl]urea
CID 108892136
2-(azetidin-3-yl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 116677038
1-[(E)-but-1-enyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea
CID 108910581

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethoxyphenyl)ethylcarbamoylamino]cyclopentane-1-carboxamide?
The IUPAC name of 1-[1-(3,4-dimethoxyphenyl)ethylcarbamoylamino]cyclopentane-1-carboxamide (CID 122571672) is 1-[1-(3,4-dimethoxyphenyl)ethylcarbamoylamino]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[1-(3,4-dimethoxyphenyl)ethylcarbamoylamino]cyclopentane-1-carboxamide?
The canonical SMILES for 1-[1-(3,4-dimethoxyphenyl)ethylcarbamoylamino]cyclopentane-1-carboxamide is COc1ccc(C(C)NC(=O)NC2(C(N)=O)CCCC2)cc1OC.
What is the InChIKey of 1-[1-(3,4-dimethoxyphenyl)ethylcarbamoylamino]cyclopentane-1-carboxamide?
The InChIKey is LWVTYDAGPPOHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-11(12-6-7-13(23-2)14(10-12)24-3)19-16(22)20-17(15(18)21)8-4-5-9-17/h6-7,10-11H,4-5,8-9H2,1-3H3,(H2,18,21)(H2,19,20,22).
What are the key properties of 1-[1-(3,4-dimethoxyphenyl)ethylcarbamoylamino]cyclopentane-1-carboxamide?
1-[1-(3,4-dimethoxyphenyl)ethylcarbamoylamino]cyclopentane-1-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethoxyphenyl)ethylcarbamoylamino]cyclopentane-1-carboxamide is sourced from PubChem (CID 122571672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).