N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohex-3-ene-1-carboxamide

C19H24N2O2 — CID 46485862

IUPACN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohex-3-ene-1-carboxamide
SMILESCC(NC(=O)C1CC=CCC1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H24N2O2/c1-13(20-18(22)15-5-3-2-4-6-15)14-9-11-17(12-10-14)21-19(23)16-7-8-16/h2-3,9-13,15-16H,4-8H2,1H3,(H,20,22)(H,21,23)
InChIKeyPWPKFEPZRPAAOS-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.57
Rot. Bonds5

About N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohex-3-ene-1-carboxamide

N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohex-3-ene-1-carboxamide (PubChem CID 46485862) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohex-3-ene-1-carboxamide
PubChem CID46485862
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohex-3-ene-1-carboxamide
SMILESCC(NC(=O)C1CC=CCC1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H24N2O2/c1-13(20-18(22)15-5-3-2-4-6-15)14-9-11-17(12-10-14)21-19(23)16-7-8-16/h2-3,9-13,15-16H,4-8H2,1H3,(H,20,22)(H,21,23)
InChIKeyPWPKFEPZRPAAOS-UHFFFAOYSA-N
XLogP3.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 42951882
N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide
CID 171577227
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119288587
N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide
CID 17394995
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
(1R)-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]cyclohex-3-ene-1-carboxamide
CID 95906210
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43507625
3-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-2-methylpropanoic acid
CID 120541217
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-2-carboxamide
CID 119288580
N-[4-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 94148286
N-(4-propan-2-ylphenyl)cyclohexanecarboxamide
CID 849011
N-(4-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 18083778

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohex-3-ene-1-carboxamide (CID 46485862) is N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohex-3-ene-1-carboxamide is CC(NC(=O)C1CC=CCC1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is PWPKFEPZRPAAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13(20-18(22)15-5-3-2-4-6-15)14-9-11-17(12-10-14)21-19(23)16-7-8-16/h2-3,9-13,15-16H,4-8H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohex-3-ene-1-carboxamide?
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 312.41 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 46485862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).