N-[2-(aminomethyl)cyclopentyl]-2-(3-methoxy-4-nitrophenoxy)acetamide;hydrochloride

C15H22ClN3O5 — CID 119602142

IUPACN-[2-(aminomethyl)cyclopentyl]-2-(3-methoxy-4-nitrophenoxy)acetamide;hydrochloride
SMILESCOc1cc(OCC(=O)NC2CCCC2CN)ccc1[N+](=O)[O-].Cl
InChIInChI=1S/C15H21N3O5.ClH/c1-22-14-7-11(5-6-13(14)18(20)21)23-9-15(19)17-12-4-2-3-10(12)8-16;/h5-7,10,12H,2-4,8-9,16H2,1H3,(H,17,19);1H
InChIKeyQIDNOHSKLYVMQU-UHFFFAOYSA-N
MW359.81 g/mol
LogP1.65
Rot. Bonds7

About N-[2-(aminomethyl)cyclopentyl]-2-(3-methoxy-4-nitrophenoxy)acetamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-2-(3-methoxy-4-nitrophenoxy)acetamide;hydrochloride (PubChem CID 119602142) has the molecular formula C15H22ClN3O5 and a molecular weight of 359.81 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-(3-methoxy-4-nitrophenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-(3-methoxy-4-nitrophenoxy)acetamide;hydrochloride
PubChem CID119602142
Molecular FormulaC15H22ClN3O5
Molecular Weight359.81 g/mol
Exact Mass359.12
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-(3-methoxy-4-nitrophenoxy)acetamide;hydrochloride
SMILESCOc1cc(OCC(=O)NC2CCCC2CN)ccc1[N+](=O)[O-].Cl
InChIInChI=1S/C15H21N3O5.ClH/c1-22-14-7-11(5-6-13(14)18(20)21)23-9-15(19)17-12-4-2-3-10(12)8-16;/h5-7,10,12H,2-4,8-9,16H2,1H3,(H,17,19);1H
InChIKeyQIDNOHSKLYVMQU-UHFFFAOYSA-N
XLogP1.65
TPSA116.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 51.65
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

cis-(1R,3S)-3-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120677851
2-(3-methoxy-4-nitrophenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120600849
N-[2-(aminomethyl)cyclohexyl]-2-(4-ethoxyphenoxy)acetamide;hydrochloride
CID 119610949
N-[2-(aminomethyl)cyclopentyl]-2-phenoxyacetamide;hydrochloride
CID 119601101
N-[2-(aminomethyl)cyclopentyl]-2-(3-methylphenoxy)acetamide
CID 119603622
N-[2-(aminomethyl)cyclopentyl]-2-(4-ethylphenoxy)acetamide
CID 119601137
2-(3-methoxy-4-nitrophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 48846540
N-(3-aminopropyl)-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 119406208
N-[(2S)-1-aminopropan-2-yl]-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 120507649
2-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]-2-methylpropanoic acid
CID 119187912
N-[2-(aminomethyl)cyclohexyl]-2-(2,5-dimethoxyphenyl)acetamide;hydrochloride
CID 119610659
1-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119113831

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(3-methoxy-4-nitrophenoxy)acetamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(3-methoxy-4-nitrophenoxy)acetamide;hydrochloride (CID 119602142) is N-[2-(aminomethyl)cyclopentyl]-2-(3-methoxy-4-nitrophenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-(3-methoxy-4-nitrophenoxy)acetamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-(3-methoxy-4-nitrophenoxy)acetamide;hydrochloride is COc1cc(OCC(=O)NC2CCCC2CN)ccc1[N+](=O)[O-].Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-(3-methoxy-4-nitrophenoxy)acetamide;hydrochloride?
The InChIKey is QIDNOHSKLYVMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5.ClH/c1-22-14-7-11(5-6-13(14)18(20)21)23-9-15(19)17-12-4-2-3-10(12)8-16;/h5-7,10,12H,2-4,8-9,16H2,1H3,(H,17,19);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-(3-methoxy-4-nitrophenoxy)acetamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-2-(3-methoxy-4-nitrophenoxy)acetamide;hydrochloride has a molecular weight of 359.81 g/mol, XLogP of 1.65, 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-(3-methoxy-4-nitrophenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119602142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).