3-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide

C16H24N2O3 — CID 66010445

IUPAC3-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(C(C)NC(=O)C2CCC(N)C2)cc1OC
InChIInChI=1S/C16H24N2O3/c1-10(18-16(19)12-4-6-13(17)8-12)11-5-7-14(20-2)15(9-11)21-3/h5,7,9-10,12-13H,4,6,8,17H2,1-3H3,(H,18,19)
InChIKeyUYLYQZILJCMFSS-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.01
Rot. Bonds5

About 3-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide

3-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide (PubChem CID 66010445) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
PubChem CID66010445
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(C(C)NC(=O)C2CCC(N)C2)cc1OC
InChIInChI=1S/C16H24N2O3/c1-10(18-16(19)12-4-6-13(17)8-12)11-5-7-14(20-2)15(9-11)21-3/h5,7,9-10,12-13H,4,6,8,17H2,1-3H3,(H,18,19)
InChIKeyUYLYQZILJCMFSS-UHFFFAOYSA-N
XLogP2.01
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119732102
3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 119688640
3-amino-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 119720260
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 61166375
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119287478
3-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 81387626
3-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 119785349
3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81350102
3-amino-N-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119754116
3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 119688642
3-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81365977
3-amino-N-[(1R)-1-(3-bromophenyl)ethyl]cyclopentane-1-carboxamide
CID 81376252

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide (CID 66010445) is 3-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide is COc1ccc(C(C)NC(=O)C2CCC(N)C2)cc1OC.
What is the InChIKey of 3-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is UYLYQZILJCMFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-10(18-16(19)12-4-6-13(17)8-12)11-5-7-14(20-2)15(9-11)21-3/h5,7,9-10,12-13H,4,6,8,17H2,1-3H3,(H,18,19).
What are the key properties of 3-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide?
3-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 66010445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).