1-(methylamino)-3-(2-nitrophenoxy)cyclopentane-1-carboxamide

C13H17N3O4 — CID 79649110

IUPAC1-(methylamino)-3-(2-nitrophenoxy)cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCC(Oc2ccccc2[N+](=O)[O-])C1
InChIInChI=1S/C13H17N3O4/c1-15-13(12(14)17)7-6-9(8-13)20-11-5-3-2-4-10(11)16(18)19/h2-5,9,15H,6-8H2,1H3,(H2,14,17)
InChIKeyHZIZYJCAHNZZGZ-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.97
Rot. Bonds5

About 1-(methylamino)-3-(2-nitrophenoxy)cyclopentane-1-carboxamide

1-(methylamino)-3-(2-nitrophenoxy)cyclopentane-1-carboxamide (PubChem CID 79649110) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-(methylamino)-3-(2-nitrophenoxy)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(methylamino)-3-(2-nitrophenoxy)cyclopentane-1-carboxamide
PubChem CID79649110
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name1-(methylamino)-3-(2-nitrophenoxy)cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCC(Oc2ccccc2[N+](=O)[O-])C1
InChIInChI=1S/C13H17N3O4/c1-15-13(12(14)17)7-6-9(8-13)20-11-5-3-2-4-10(11)16(18)19/h2-5,9,15H,6-8H2,1H3,(H2,14,17)
InChIKeyHZIZYJCAHNZZGZ-UHFFFAOYSA-N
XLogP0.97
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.97
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

1-(methylamino)-3-(2-methyl-3-nitrophenoxy)cyclopentane-1-carboxylic acid
CID 79646675
3-(2-fluoro-4-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide
CID 79646685
1-(cyclopropylamino)-3-(2-methoxyphenoxy)cyclopentane-1-carboxamide
CID 79647928
1-(methylamino)-3-(2,3,5-trimethylphenoxy)cyclopentane-1-carboxamide
CID 79649389
3-(2,3-difluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide
CID 79637427
3-(2-ethylphenoxy)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79648693
3-(3,5-dimethoxyphenoxy)-1-(methylamino)cyclopentane-1-carboxamide
CID 79646943
3-(3-fluoro-4-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79646715
1-amino-3-(2-methyl-3-nitrophenoxy)cyclopentane-1-carboxylic acid
CID 79648802
methyl 1-(methylamino)-3-(3-nitrophenoxy)cyclopentane-1-carboxylate
CID 79646437
1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carboxamide
CID 79647720
1-(cyclopropylamino)-3-(2,4-difluorophenoxy)cyclopentane-1-carboxamide
CID 79647458

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-(2-nitrophenoxy)cyclopentane-1-carboxamide?
The IUPAC name of 1-(methylamino)-3-(2-nitrophenoxy)cyclopentane-1-carboxamide (CID 79649110) is 1-(methylamino)-3-(2-nitrophenoxy)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(methylamino)-3-(2-nitrophenoxy)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(methylamino)-3-(2-nitrophenoxy)cyclopentane-1-carboxamide is CNC1(C(N)=O)CCC(Oc2ccccc2[N+](=O)[O-])C1.
What is the InChIKey of 1-(methylamino)-3-(2-nitrophenoxy)cyclopentane-1-carboxamide?
The InChIKey is HZIZYJCAHNZZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-15-13(12(14)17)7-6-9(8-13)20-11-5-3-2-4-10(11)16(18)19/h2-5,9,15H,6-8H2,1H3,(H2,14,17).
What are the key properties of 1-(methylamino)-3-(2-nitrophenoxy)cyclopentane-1-carboxamide?
1-(methylamino)-3-(2-nitrophenoxy)cyclopentane-1-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-(2-nitrophenoxy)cyclopentane-1-carboxamide is sourced from PubChem (CID 79649110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).