N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide

C16H22N2O3 — CID 134039540

IUPACN-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCNC(=O)C2CCCC2)c1
InChIInChI=1S/C16H22N2O3/c1-21-14-8-4-7-13(11-14)16(20)18-10-9-17-15(19)12-5-2-3-6-12/h4,7-8,11-12H,2-3,5-6,9-10H2,1H3,(H,17,19)(H,18,20)
InChIKeyFZVZDPCHGVZJBX-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.73
Rot. Bonds6

About N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide

N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide (PubChem CID 134039540) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide
PubChem CID134039540
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCNC(=O)C2CCCC2)c1
InChIInChI=1S/C16H22N2O3/c1-21-14-8-4-7-13(11-14)16(20)18-10-9-17-15(19)12-5-2-3-6-12/h4,7-8,11-12H,2-3,5-6,9-10H2,1H3,(H,17,19)(H,18,20)
InChIKeyFZVZDPCHGVZJBX-UHFFFAOYSA-N
XLogP1.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-methoxybenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119278671
N-[2-[(3-methoxybenzoyl)amino]ethyl]oxolane-2-carboxamide
CID 42944644
N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide
CID 17226027
N-[2-[acetyl(cycloheptyl)amino]ethyl]-3-methoxybenzamide
CID 113056703
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237
N-[2-[(3-methoxybenzoyl)amino]ethyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 136577622
N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxy-4-methylbenzamide
CID 47120108
2-chloro-N-[2-[(3-methoxybenzoyl)amino]ethyl]benzamide
CID 7354272
N-[2-(cycloheptylsulfamoyl)ethyl]-3-methoxybenzamide
CID 7618048
N-[2-[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]ethyl]cyclopentanecarboxamide
CID 60612591

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide (CID 134039540) is N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCNC(=O)C2CCCC2)c1.
What is the InChIKey of N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide?
The InChIKey is FZVZDPCHGVZJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-21-14-8-4-7-13(11-14)16(20)18-10-9-17-15(19)12-5-2-3-6-12/h4,7-8,11-12H,2-3,5-6,9-10H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide?
N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide has a molecular weight of 290.36 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 134039540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).