N-[2-(aminomethyl)cyclopentyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide

C20H23N3O5 — CID 119605134

IUPACN-[2-(aminomethyl)cyclopentyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide
SMILESCOc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC2CCCC2CN)cc1
InChIInChI=1S/C20H23N3O5/c1-27-15-6-8-16(9-7-15)28-19-10-5-14(23(25)26)11-17(19)20(24)22-18-4-2-3-13(18)12-21/h5-11,13,18H,2-4,12,21H2,1H3,(H,22,24)
InChIKeyKLSGIVGEQGPRIO-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.25
Rot. Bonds7

About N-[2-(aminomethyl)cyclopentyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide

N-[2-(aminomethyl)cyclopentyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide (PubChem CID 119605134) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide
PubChem CID119605134
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide
SMILESCOc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC2CCCC2CN)cc1
InChIInChI=1S/C20H23N3O5/c1-27-15-6-8-16(9-7-15)28-19-10-5-14(23(25)26)11-17(19)20(24)22-18-4-2-3-13(18)12-21/h5-11,13,18H,2-4,12,21H2,1H3,(H,22,24)
InChIKeyKLSGIVGEQGPRIO-UHFFFAOYSA-N
XLogP3.25
TPSA116.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[2-(aminomethyl)cyclopentyl]-2,5-dimethoxybenzamide;hydrochloride
CID 119602527
N-[2-(aminomethyl)cyclohexyl]-2,5-dimethoxybenzamide;hydrochloride
CID 119610574
N-[2-(aminomethyl)cyclopentyl]-2-bromo-4-nitrobenzamide;hydrochloride
CID 119602955
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-5-nitrobenzamide
CID 104927344
3-[[2-(4-methoxyphenoxy)-5-nitrobenzoyl]amino]-2,2-dimethylpropanoic acid
CID 119250353
N-[2-(hydroxymethyl)cyclopentyl]-2-methyl-5-nitrobenzamide
CID 103751423
2-(4-methoxyphenoxy)-N-[3-(methylamino)propyl]-5-nitrobenzamide;hydrochloride
CID 119434119
N-cyclopropyl-2-methoxy-5-nitrobenzamide
CID 9210144
N-[2-(bromomethyl)cyclopentyl]-2,5-dimethoxybenzamide
CID 106366534
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
N-[4-[[4-(dimethylamino)-6-methyl-2-pyridinyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide
CID 11685017
N-[(2R)-2-(ethylamino)propyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide
CID 120650717

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide (CID 119605134) is N-[2-(aminomethyl)cyclopentyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide is COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC2CCCC2CN)cc1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide?
The InChIKey is KLSGIVGEQGPRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-27-15-6-8-16(9-7-15)28-19-10-5-14(23(25)26)11-17(19)20(24)22-18-4-2-3-13(18)12-21/h5-11,13,18H,2-4,12,21H2,1H3,(H,22,24).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide?
N-[2-(aminomethyl)cyclopentyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide has a molecular weight of 385.42 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide is sourced from PubChem (CID 119605134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).