N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-nitrobenzamide

C14H18N2O5 — CID 115970064

IUPACN-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-nitrobenzamide
SMILESCOc1cc(C(=O)NC2(CO)CCCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H18N2O5/c1-21-12-8-10(4-5-11(12)16(19)20)13(18)15-14(9-17)6-2-3-7-14/h4-5,8,17H,2-3,6-7,9H2,1H3,(H,15,18)
InChIKeyQGTMZRDKEMHESJ-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.64
Rot. Bonds5

About N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-nitrobenzamide

N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-nitrobenzamide (PubChem CID 115970064) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-nitrobenzamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-nitrobenzamide
PubChem CID115970064
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-nitrobenzamide
SMILESCOc1cc(C(=O)NC2(CO)CCCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H18N2O5/c1-21-12-8-10(4-5-11(12)16(19)20)13(18)15-14(9-17)6-2-3-7-14/h4-5,8,17H,2-3,6-7,9H2,1H3,(H,15,18)
InChIKeyQGTMZRDKEMHESJ-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-methylbenzamide
CID 62516961
4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-3-nitrobenzamide
CID 62517569
4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]-3-nitrobenzamide
CID 62520955
N-[1-(hydroxymethyl)cyclopentyl]-2-methoxy-5-nitrobenzamide
CID 62518781
2-[1-(3-methoxy-4-nitroanilino)cyclopentyl]acetic acid
CID 64700769
N-[1-(hydroxymethyl)cyclobutyl]-4-methylsulfanyl-3-nitrobenzamide
CID 115877899
2-[(3-methoxy-4-nitrobenzoyl)amino]propanoic acid
CID 83767983
N-(3-hydroxy-2-methylpropyl)-3-methoxy-4-nitrobenzamide
CID 115749189
N-cyano-3-methoxy-4-nitrobenzamide
CID 104783612
4-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide
CID 89028285
2-methoxy-3-[(3-methoxy-4-nitrobenzoyl)amino]propanoic acid
CID 106107728
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-nitrobenzamide
CID 120887254

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-nitrobenzamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-nitrobenzamide (CID 115970064) is N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-nitrobenzamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-nitrobenzamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-nitrobenzamide is COc1cc(C(=O)NC2(CO)CCCC2)ccc1[N+](=O)[O-].
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-nitrobenzamide?
The InChIKey is QGTMZRDKEMHESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-21-12-8-10(4-5-11(12)16(19)20)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]-3-methoxy-4-nitrobenzamide?
N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-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]-3-methoxy-4-nitrobenzamide is sourced from PubChem (CID 115970064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).