[2-(methylamino)cyclohexyl] N-(3-nitrophenyl)carbamate

C14H19N3O4 — CID 102635463

IUPAC[2-(methylamino)cyclohexyl] N-(3-nitrophenyl)carbamate
SMILESCNC1CCCCC1OC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O4/c1-15-12-7-2-3-8-13(12)21-14(18)16-10-5-4-6-11(9-10)17(19)20/h4-6,9,12-13,15H,2-3,7-8H2,1H3,(H,16,18)
InChIKeyXCTJKZNRHCEOOZ-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.67
Rot. Bonds4

About [2-(methylamino)cyclohexyl] N-(3-nitrophenyl)carbamate

[2-(methylamino)cyclohexyl] N-(3-nitrophenyl)carbamate (PubChem CID 102635463) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is [2-(methylamino)cyclohexyl] N-(3-nitrophenyl)carbamate.

Molecular Properties

Compound Name[2-(methylamino)cyclohexyl] N-(3-nitrophenyl)carbamate
PubChem CID102635463
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name[2-(methylamino)cyclohexyl] N-(3-nitrophenyl)carbamate
SMILESCNC1CCCCC1OC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O4/c1-15-12-7-2-3-8-13(12)21-14(18)16-10-5-4-6-11(9-10)17(19)20/h4-6,9,12-13,15H,2-3,7-8H2,1H3,(H,16,18)
InChIKeyXCTJKZNRHCEOOZ-UHFFFAOYSA-N
XLogP2.67
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.67
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

trimethyl-[(1S,2S)-2-[(3-nitrophenyl)carbamoylamino]cyclohexyl]azanium
CID 177446626
N-methyl-2-(4-nitrophenoxy)cyclohexan-1-amine
CID 102634472
1-(cyclohexylmethyl)-3-(3-nitrophenyl)urea
CID 31772081
2-cyclohexyl-N-(3-nitrophenyl)acetamide
CID 1121006
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
methyl N-[3-(3-nitrophenyl)phenyl]carbamate
CID 110459530
propyl N-(3-nitrophenyl)carbamate
CID 522989
2-(2-fluoro-4-nitrophenoxy)-N-methylcyclohexan-1-amine
CID 102634184
N-[1-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]ethenyl]-3-nitroaniline
CID 165364389
(Z)-2-cyano-3-[(2-methylcyclohexyl)amino]-N-(3-nitrophenyl)prop-2-enamide
CID 108853421
ethane;N-(3-nitrophenyl)prop-2-enamide
CID 142347687
1-methoxy-3-(3-nitrophenyl)urea
CID 41474055

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)cyclohexyl] N-(3-nitrophenyl)carbamate?
The IUPAC name of [2-(methylamino)cyclohexyl] N-(3-nitrophenyl)carbamate (CID 102635463) is [2-(methylamino)cyclohexyl] N-(3-nitrophenyl)carbamate.
What is the SMILES notation for [2-(methylamino)cyclohexyl] N-(3-nitrophenyl)carbamate?
The canonical SMILES for [2-(methylamino)cyclohexyl] N-(3-nitrophenyl)carbamate is CNC1CCCCC1OC(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of [2-(methylamino)cyclohexyl] N-(3-nitrophenyl)carbamate?
The InChIKey is XCTJKZNRHCEOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-15-12-7-2-3-8-13(12)21-14(18)16-10-5-4-6-11(9-10)17(19)20/h4-6,9,12-13,15H,2-3,7-8H2,1H3,(H,16,18).
What are the key properties of [2-(methylamino)cyclohexyl] N-(3-nitrophenyl)carbamate?
[2-(methylamino)cyclohexyl] N-(3-nitrophenyl)carbamate has a molecular weight of 293.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)cyclohexyl] N-(3-nitrophenyl)carbamate is sourced from PubChem (CID 102635463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).