1-[(3-ethoxy-N-methyl-5-nitroanilino)methyl]cyclopentan-1-ol

C15H22N2O4 — CID 114952070

IUPAC1-[(3-ethoxy-N-methyl-5-nitroanilino)methyl]cyclopentan-1-ol
SMILESCCOc1cc(N(C)CC2(O)CCCC2)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H22N2O4/c1-3-21-14-9-12(8-13(10-14)17(19)20)16(2)11-15(18)6-4-5-7-15/h8-10,18H,3-7,11H2,1-2H3
InChIKeyYUGXANAJWRYYIK-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.73
Rot. Bonds6

About 1-[(3-ethoxy-N-methyl-5-nitroanilino)methyl]cyclopentan-1-ol

1-[(3-ethoxy-N-methyl-5-nitroanilino)methyl]cyclopentan-1-ol (PubChem CID 114952070) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[(3-ethoxy-N-methyl-5-nitroanilino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(3-ethoxy-N-methyl-5-nitroanilino)methyl]cyclopentan-1-ol
PubChem CID114952070
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name1-[(3-ethoxy-N-methyl-5-nitroanilino)methyl]cyclopentan-1-ol
SMILESCCOc1cc(N(C)CC2(O)CCCC2)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H22N2O4/c1-3-21-14-9-12(8-13(10-14)17(19)20)16(2)11-15(18)6-4-5-7-15/h8-10,18H,3-7,11H2,1-2H3
InChIKeyYUGXANAJWRYYIK-UHFFFAOYSA-N
XLogP2.73
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
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

1-[(3-methoxy-N-methyl-5-nitroanilino)methyl]cyclopentan-1-ol
CID 114952080
1-[(N-methyl-4-nitroanilino)methyl]cyclopentan-1-ol
CID 115868650
2-(N-cyclobutyl-3-ethoxy-5-nitroanilino)ethanol
CID 102869080
1-[(3-bromo-5-nitrophenoxy)methyl]cyclohexan-1-ol
CID 103589253
5-[(1-hydroxycyclopentyl)methyl-methylamino]-2-nitrobenzoic acid
CID 114949869
1-[(5-methoxy-N-methyl-2-nitroanilino)methyl]cyclopentan-1-ol
CID 115868661
2-[N-(2,2-difluoroethyl)-3-ethoxy-5-nitroanilino]ethanol
CID 107484162
N-(3-ethoxy-5-nitrophenyl)hydroxylamine
CID 130500571
4-[[methyl-(6-nitro-3-pyridinyl)amino]methyl]oxan-4-ol
CID 114952266
N-[(1-aminocyclobutyl)methyl]-3-ethoxy-5-nitroaniline
CID 103354034
1-[[(6-methoxy-5-nitropyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114952069
N-(4,4-dimethylcyclohexyl)-3-ethoxy-5-nitroaniline
CID 80732628

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxy-N-methyl-5-nitroanilino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(3-ethoxy-N-methyl-5-nitroanilino)methyl]cyclopentan-1-ol (CID 114952070) is 1-[(3-ethoxy-N-methyl-5-nitroanilino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(3-ethoxy-N-methyl-5-nitroanilino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(3-ethoxy-N-methyl-5-nitroanilino)methyl]cyclopentan-1-ol is CCOc1cc(N(C)CC2(O)CCCC2)cc([N+](=O)[O-])c1.
What is the InChIKey of 1-[(3-ethoxy-N-methyl-5-nitroanilino)methyl]cyclopentan-1-ol?
The InChIKey is YUGXANAJWRYYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-21-14-9-12(8-13(10-14)17(19)20)16(2)11-15(18)6-4-5-7-15/h8-10,18H,3-7,11H2,1-2H3.
What are the key properties of 1-[(3-ethoxy-N-methyl-5-nitroanilino)methyl]cyclopentan-1-ol?
1-[(3-ethoxy-N-methyl-5-nitroanilino)methyl]cyclopentan-1-ol has a molecular weight of 294.35 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxy-N-methyl-5-nitroanilino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 114952070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).