N-[(4-ethylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide

C18H24N2O — CID 4080712

IUPACN-[(4-ethylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide
SMILESCCC1CCC(=NNC(=O)C2CC2c2ccccc2)CC1
InChIInChI=1S/C18H24N2O/c1-2-13-8-10-15(11-9-13)19-20-18(21)17-12-16(17)14-6-4-3-5-7-14/h3-7,13,16-17H,2,8-12H2,1H3,(H,20,21)/b19-15-
InChIKeyMGRWDUOJCLAAGF-CYVLTUHYSA-N
MW284.40 g/mol
LogP3.86
Rot. Bonds4

About N-[(4-ethylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide

N-[(4-ethylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide (PubChem CID 4080712) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[(4-ethylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide
PubChem CID4080712
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[(4-ethylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide
SMILESCCC1CCC(=NNC(=O)C2CC2c2ccccc2)CC1
InChIInChI=1S/C18H24N2O/c1-2-13-8-10-15(11-9-13)19-20-18(21)17-12-16(17)14-6-4-3-5-7-14/h3-7,13,16-17H,2,8-12H2,1H3,(H,20,21)/b19-15-
InChIKeyMGRWDUOJCLAAGF-CYVLTUHYSA-N
XLogP3.86
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[(4-ethylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide (CID 4080712) is N-[(4-ethylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(4-ethylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(4-ethylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide is CCC1CCC(=NNC(=O)C2CC2c2ccccc2)CC1.
What is the InChIKey of N-[(4-ethylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is MGRWDUOJCLAAGF-CYVLTUHYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-13-8-10-15(11-9-13)19-20-18(21)17-12-16(17)14-6-4-3-5-7-14/h3-7,13,16-17H,2,8-12H2,1H3,(H,20,21)/b19-15-.
What are the key properties of N-[(4-ethylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide?
N-[(4-ethylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 4080712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).