N-cyclopentyl-5-ethoxy-4-methoxy-N-methyl-2-nitrobenzamide

C16H22N2O5 — CID 51268497

IUPACN-cyclopentyl-5-ethoxy-4-methoxy-N-methyl-2-nitrobenzamide
SMILESCCOc1cc(C(=O)N(C)C2CCCC2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C16H22N2O5/c1-4-23-15-9-12(13(18(20)21)10-14(15)22-3)16(19)17(2)11-7-5-6-8-11/h9-11H,4-8H2,1-3H3
InChIKeyOWOJWYNOELOVEI-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.02
Rot. Bonds6

About N-cyclopentyl-5-ethoxy-4-methoxy-N-methyl-2-nitrobenzamide

N-cyclopentyl-5-ethoxy-4-methoxy-N-methyl-2-nitrobenzamide (PubChem CID 51268497) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-cyclopentyl-5-ethoxy-4-methoxy-N-methyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopentyl-5-ethoxy-4-methoxy-N-methyl-2-nitrobenzamide
PubChem CID51268497
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC NameN-cyclopentyl-5-ethoxy-4-methoxy-N-methyl-2-nitrobenzamide
SMILESCCOc1cc(C(=O)N(C)C2CCCC2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C16H22N2O5/c1-4-23-15-9-12(13(18(20)21)10-14(15)22-3)16(19)17(2)11-7-5-6-8-11/h9-11H,4-8H2,1-3H3
InChIKeyOWOJWYNOELOVEI-UHFFFAOYSA-N
XLogP3.02
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide
CID 134060927
N-cyclohexyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide
CID 24632569
2-[(4-ethoxy-5-methoxy-2-nitrobenzoyl)-methylamino]acetic acid
CID 119172192
N-cyclooctyl-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 36681735
N-cyclooctyl-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 35532421
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-ethoxy-5-methoxy-2-nitrophenyl)methanone
CID 9489998
5-amino-N-cyclohexyl-4-fluoro-N-methyl-2-nitrobenzamide
CID 62156412
2-[(4,5-dimethoxy-2-nitrobenzoyl)-methylamino]acetic acid
CID 43234989
1-(4-ethoxy-5-methoxy-2-nitrobenzoyl)piperidine-4-carboxamide
CID 32978677
cyclopentyl-(4,5-dimethoxy-2-nitrophenyl)methanone
CID 89436250
N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methyl-2-nitrobenzamide
CID 35538420
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-ethoxy-5-methoxy-2-nitrobenzoate
CID 9124779

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-ethoxy-4-methoxy-N-methyl-2-nitrobenzamide?
The IUPAC name of N-cyclopentyl-5-ethoxy-4-methoxy-N-methyl-2-nitrobenzamide (CID 51268497) is N-cyclopentyl-5-ethoxy-4-methoxy-N-methyl-2-nitrobenzamide.
What is the SMILES notation for N-cyclopentyl-5-ethoxy-4-methoxy-N-methyl-2-nitrobenzamide?
The canonical SMILES for N-cyclopentyl-5-ethoxy-4-methoxy-N-methyl-2-nitrobenzamide is CCOc1cc(C(=O)N(C)C2CCCC2)c([N+](=O)[O-])cc1OC.
What is the InChIKey of N-cyclopentyl-5-ethoxy-4-methoxy-N-methyl-2-nitrobenzamide?
The InChIKey is OWOJWYNOELOVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-4-23-15-9-12(13(18(20)21)10-14(15)22-3)16(19)17(2)11-7-5-6-8-11/h9-11H,4-8H2,1-3H3.
What are the key properties of N-cyclopentyl-5-ethoxy-4-methoxy-N-methyl-2-nitrobenzamide?
N-cyclopentyl-5-ethoxy-4-methoxy-N-methyl-2-nitrobenzamide has a molecular weight of 322.36 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-ethoxy-4-methoxy-N-methyl-2-nitrobenzamide is sourced from PubChem (CID 51268497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).