N-cyclohexyl-2-[(4-nitrophenyl)carbamoylamino]-N-prop-2-enylacetamide

C18H24N4O4 — CID 135072785

IUPACN-cyclohexyl-2-[(4-nitrophenyl)carbamoylamino]-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)CNC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1
InChIInChI=1S/C18H24N4O4/c1-2-12-21(15-6-4-3-5-7-15)17(23)13-19-18(24)20-14-8-10-16(11-9-14)22(25)26/h2,8-11,15H,1,3-7,12-13H2,(H2,19,20,24)
InChIKeyQIIFAIILMOTMRG-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.06
Rot. Bonds7

About N-cyclohexyl-2-[(4-nitrophenyl)carbamoylamino]-N-prop-2-enylacetamide

N-cyclohexyl-2-[(4-nitrophenyl)carbamoylamino]-N-prop-2-enylacetamide (PubChem CID 135072785) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-cyclohexyl-2-[(4-nitrophenyl)carbamoylamino]-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(4-nitrophenyl)carbamoylamino]-N-prop-2-enylacetamide
PubChem CID135072785
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC NameN-cyclohexyl-2-[(4-nitrophenyl)carbamoylamino]-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)CNC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1
InChIInChI=1S/C18H24N4O4/c1-2-12-21(15-6-4-3-5-7-15)17(23)13-19-18(24)20-14-8-10-16(11-9-14)22(25)26/h2,8-11,15H,1,3-7,12-13H2,(H2,19,20,24)
InChIKeyQIIFAIILMOTMRG-UHFFFAOYSA-N
XLogP3.06
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(cyclopentylmethyl)-3-(4-nitrophenyl)urea
CID 46494092
1-(4-cyclohexylbutyl)-3-(4-nitrophenyl)urea
CID 141077203
2-anilino-N-cyclopentyl-N-prop-2-enylacetamide
CID 54872346
3-[cyclopentyl(prop-2-enyl)amino]-3-oxopropanoic acid
CID 62230761
1-(dicyclohexylmethyl)-3-(4-nitrophenyl)urea
CID 67647172
1-cyclohexyl-3-[4-(dimethylamino)phenyl]-1-prop-2-enylurea
CID 3853475
2-cyclohexyl-N-(4-nitrophenyl)acetamide
CID 2911775
N-cyclohexyl-N-methyl-2-(phenylcarbamoylamino)acetamide
CID 34249185
1-(4-nitrophenyl)-3-[6-[(4-nitrophenyl)carbamoylamino]hexyl]urea
CID 136817257
1-[3-(cyclopropylamino)propyl]-3-(4-nitrophenyl)urea
CID 43596866
1-cyclopropyl-1-(2-hydroxyethyl)-3-(4-nitrophenyl)urea
CID 43429980
3-(4-nitrophenyl)-1-phenyl-1-prop-2-enylurea
CID 177420142

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(4-nitrophenyl)carbamoylamino]-N-prop-2-enylacetamide?
The IUPAC name of N-cyclohexyl-2-[(4-nitrophenyl)carbamoylamino]-N-prop-2-enylacetamide (CID 135072785) is N-cyclohexyl-2-[(4-nitrophenyl)carbamoylamino]-N-prop-2-enylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[(4-nitrophenyl)carbamoylamino]-N-prop-2-enylacetamide?
The canonical SMILES for N-cyclohexyl-2-[(4-nitrophenyl)carbamoylamino]-N-prop-2-enylacetamide is C=CCN(C(=O)CNC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[(4-nitrophenyl)carbamoylamino]-N-prop-2-enylacetamide?
The InChIKey is QIIFAIILMOTMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-2-12-21(15-6-4-3-5-7-15)17(23)13-19-18(24)20-14-8-10-16(11-9-14)22(25)26/h2,8-11,15H,1,3-7,12-13H2,(H2,19,20,24).
What are the key properties of N-cyclohexyl-2-[(4-nitrophenyl)carbamoylamino]-N-prop-2-enylacetamide?
N-cyclohexyl-2-[(4-nitrophenyl)carbamoylamino]-N-prop-2-enylacetamide has a molecular weight of 360.41 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(4-nitrophenyl)carbamoylamino]-N-prop-2-enylacetamide is sourced from PubChem (CID 135072785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).