N-[1-(hydroxymethyl)cyclopentyl]-2-methoxy-5-nitrobenzamide

C14H18N2O5 — CID 62518781

IUPACN-[1-(hydroxymethyl)cyclopentyl]-2-methoxy-5-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)NC1(CO)CCCC1
InChIInChI=1S/C14H18N2O5/c1-21-12-5-4-10(16(19)20)8-11(12)13(18)15-14(9-17)6-2-3-7-14/h4-5,8,17H,2-3,6-7,9H2,1H3,(H,15,18)
InChIKeyUOQXCSZZBSFGCC-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.64
Rot. Bonds5

About N-[1-(hydroxymethyl)cyclopentyl]-2-methoxy-5-nitrobenzamide

N-[1-(hydroxymethyl)cyclopentyl]-2-methoxy-5-nitrobenzamide (PubChem CID 62518781) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]-2-methoxy-5-nitrobenzamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]-2-methoxy-5-nitrobenzamide
PubChem CID62518781
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]-2-methoxy-5-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)NC1(CO)CCCC1
InChIInChI=1S/C14H18N2O5/c1-21-12-5-4-10(16(19)20)8-11(12)13(18)15-14(9-17)6-2-3-7-14/h4-5,8,17H,2-3,6-7,9H2,1H3,(H,15,18)
InChIKeyUOQXCSZZBSFGCC-UHFFFAOYSA-N
XLogP1.64
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
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-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-nitrobenzamide
CID 115970064
2-amino-N-[1-(2-methoxyethyl)cyclopentyl]-5-nitrobenzamide
CID 86806146
N-[1-(hydroxymethyl)cyclobutyl]-2-methoxybenzamide
CID 113344829
(2R)-3-hydroxy-2-[(2-methoxy-5-nitrobenzoyl)amino]propanoic acid
CID 80751071
2-methoxy-3-[(2-methoxy-5-nitrobenzoyl)amino]propanoic acid
CID 106107789
N-[1-(aminomethyl)cyclopentyl]-2-fluoro-4-nitrobenzamide;hydrochloride
CID 119567681
N-(2,2-difluoro-3-hydroxypropyl)-2-methoxy-5-nitrobenzamide
CID 104857202
N-cyclopropyl-2-methoxy-5-nitrobenzamide
CID 9210144
N-[1-(hydroxymethyl)cyclobutyl]-3-nitrobenzamide
CID 115878142
2-methoxy-5-nitrobenzoic acid;zinc
CID 67791241
4-hydroxy-2-[(2-methoxy-5-nitrobenzoyl)amino]butanoic acid
CID 61242378
2-methoxy-5-nitro-N-prop-2-ynylbenzamide
CID 18110111

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-2-methoxy-5-nitrobenzamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-2-methoxy-5-nitrobenzamide (CID 62518781) is N-[1-(hydroxymethyl)cyclopentyl]-2-methoxy-5-nitrobenzamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]-2-methoxy-5-nitrobenzamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]-2-methoxy-5-nitrobenzamide is COc1ccc([N+](=O)[O-])cc1C(=O)NC1(CO)CCCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]-2-methoxy-5-nitrobenzamide?
The InChIKey is UOQXCSZZBSFGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-21-12-5-4-10(16(19)20)8-11(12)13(18)15-14(9-17)6-2-3-7-14/h4-5,8,17H,2-3,6-7,9H2,1H3,(H,15,18).
What are the key properties of N-[1-(hydroxymethyl)cyclopentyl]-2-methoxy-5-nitrobenzamide?
N-[1-(hydroxymethyl)cyclopentyl]-2-methoxy-5-nitrobenzamide has a molecular weight of 294.31 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopentyl]-2-methoxy-5-nitrobenzamide is sourced from PubChem (CID 62518781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).