N-methyl-4-[(3-nitrophenyl)carbamoylamino]cyclohexane-1-carboxamide

C15H20N4O4 — CID 60600666

IUPACN-methyl-4-[(3-nitrophenyl)carbamoylamino]cyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C15H20N4O4/c1-16-14(20)10-5-7-11(8-6-10)17-15(21)18-12-3-2-4-13(9-12)19(22)23/h2-4,9-11H,5-8H2,1H3,(H,16,20)(H2,17,18,21)
InChIKeyOLTGXKLBBXGTFR-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.02
Rot. Bonds4

About N-methyl-4-[(3-nitrophenyl)carbamoylamino]cyclohexane-1-carboxamide

N-methyl-4-[(3-nitrophenyl)carbamoylamino]cyclohexane-1-carboxamide (PubChem CID 60600666) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-methyl-4-[(3-nitrophenyl)carbamoylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[(3-nitrophenyl)carbamoylamino]cyclohexane-1-carboxamide
PubChem CID60600666
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC NameN-methyl-4-[(3-nitrophenyl)carbamoylamino]cyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C15H20N4O4/c1-16-14(20)10-5-7-11(8-6-10)17-15(21)18-12-3-2-4-13(9-12)19(22)23/h2-4,9-11H,5-8H2,1H3,(H,16,20)(H2,17,18,21)
InChIKeyOLTGXKLBBXGTFR-UHFFFAOYSA-N
XLogP2.02
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-nitrophenyl)-3-piperidin-4-ylurea
CID 43167665
1-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-nitrophenyl)urea
CID 7462537
1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-nitrophenyl)urea
CID 59168710
1-(3-nitrophenyl)-3-[(3R)-piperidin-3-yl]urea
CID 95400189
4-(cyclopropanecarbonylamino)-N-(3-nitrophenyl)benzamide
CID 17359573
1-acetyl-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 35345514
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
trimethyl-[(1S,2S)-2-[(3-nitrophenyl)carbamoylamino]cyclohexyl]azanium
CID 177446626
N-methyl-4-[(3-nitrophenyl)carbamoylamino]benzamide
CID 17180814
3-(3-nitroanilino)cyclopentane-1-carboxylic acid
CID 66031984
(2S)-N-methyl-1-[2-[(3-nitrophenyl)carbamoylamino]acetyl]pyrrolidine-2-carboxamide
CID 95149524
1-cyclopropyl-3-(3-methylphenyl)urea
CID 841579

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(3-nitrophenyl)carbamoylamino]cyclohexane-1-carboxamide?
The IUPAC name of N-methyl-4-[(3-nitrophenyl)carbamoylamino]cyclohexane-1-carboxamide (CID 60600666) is N-methyl-4-[(3-nitrophenyl)carbamoylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-methyl-4-[(3-nitrophenyl)carbamoylamino]cyclohexane-1-carboxamide?
The canonical SMILES for N-methyl-4-[(3-nitrophenyl)carbamoylamino]cyclohexane-1-carboxamide is CNC(=O)C1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1.
What is the InChIKey of N-methyl-4-[(3-nitrophenyl)carbamoylamino]cyclohexane-1-carboxamide?
The InChIKey is OLTGXKLBBXGTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-16-14(20)10-5-7-11(8-6-10)17-15(21)18-12-3-2-4-13(9-12)19(22)23/h2-4,9-11H,5-8H2,1H3,(H,16,20)(H2,17,18,21).
What are the key properties of N-methyl-4-[(3-nitrophenyl)carbamoylamino]cyclohexane-1-carboxamide?
N-methyl-4-[(3-nitrophenyl)carbamoylamino]cyclohexane-1-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(3-nitrophenyl)carbamoylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 60600666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).