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

C17H24N2O5 — CID 134060927

IUPACN-cyclopentyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide
SMILESCCOc1cc(C(=O)N(CC)C2CCCC2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C17H24N2O5/c1-4-18(12-8-6-7-9-12)17(20)13-10-16(24-5-2)15(23-3)11-14(13)19(21)22/h10-12H,4-9H2,1-3H3
InChIKeyRCCHOBUZVUDZNL-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.41
Rot. Bonds7

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

N-cyclopentyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide (PubChem CID 134060927) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-cyclopentyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopentyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide
PubChem CID134060927
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC NameN-cyclopentyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide
SMILESCCOc1cc(C(=O)N(CC)C2CCCC2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C17H24N2O5/c1-4-18(12-8-6-7-9-12)17(20)13-10-16(24-5-2)15(23-3)11-14(13)19(21)22/h10-12H,4-9H2,1-3H3
InChIKeyRCCHOBUZVUDZNL-UHFFFAOYSA-N
XLogP3.41
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.41
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-cyclohexyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide
CID 24632569
N-cyclopentyl-5-ethoxy-4-methoxy-N-methyl-2-nitrobenzamide
CID 51268497
N-cyclooctyl-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 36681735
N-cyclooctyl-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 35532421
2-[(4-ethoxy-5-methoxy-2-nitrobenzoyl)-methylamino]acetic acid
CID 119172192
N-cyclopentyl-N-ethyl-2,4,5-trimethoxybenzamide
CID 52574017
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-ethoxy-5-methoxy-2-nitrophenyl)methanone
CID 9489998
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
5-ethoxy-4-methoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-nitrobenzamide
CID 51212673
N-(1,1-dioxothiolan-3-yl)-5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-propylbenzamide
CID 55467375

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide?
The IUPAC name of N-cyclopentyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide (CID 134060927) is N-cyclopentyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide.
What is the SMILES notation for N-cyclopentyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide?
The canonical SMILES for N-cyclopentyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide is CCOc1cc(C(=O)N(CC)C2CCCC2)c([N+](=O)[O-])cc1OC.
What is the InChIKey of N-cyclopentyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide?
The InChIKey is RCCHOBUZVUDZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-4-18(12-8-6-7-9-12)17(20)13-10-16(24-5-2)15(23-3)11-14(13)19(21)22/h10-12H,4-9H2,1-3H3.
What are the key properties of N-cyclopentyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide?
N-cyclopentyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide has a molecular weight of 336.39 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide is sourced from PubChem (CID 134060927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).