N-cyclohexyl-5-[(cyclohexylamino)-hydroxymethylidene]cyclopenta-1,3-diene-1-carboxamide

C19H28N2O2 — CID 139905837

IUPACN-cyclohexyl-5-[(cyclohexylamino)-hydroxymethylidene]cyclopenta-1,3-diene-1-carboxamide
SMILESO=C(NC1CCCCC1)C1=CC=CC1=C(O)NC1CCCCC1
InChIInChI=1S/C19H28N2O2/c22-18(20-14-8-3-1-4-9-14)16-12-7-13-17(16)19(23)21-15-10-5-2-6-11-15/h7,12-15,20,22H,1-6,8-11H2,(H,21,23)
InChIKeyUQSSTHYSMDDRCZ-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.62
Rot. Bonds4

About N-cyclohexyl-5-[(cyclohexylamino)-hydroxymethylidene]cyclopenta-1,3-diene-1-carboxamide

N-cyclohexyl-5-[(cyclohexylamino)-hydroxymethylidene]cyclopenta-1,3-diene-1-carboxamide (PubChem CID 139905837) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-cyclohexyl-5-[(cyclohexylamino)-hydroxymethylidene]cyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[(cyclohexylamino)-hydroxymethylidene]cyclopenta-1,3-diene-1-carboxamide
PubChem CID139905837
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-cyclohexyl-5-[(cyclohexylamino)-hydroxymethylidene]cyclopenta-1,3-diene-1-carboxamide
SMILESO=C(NC1CCCCC1)C1=CC=CC1=C(O)NC1CCCCC1
InChIInChI=1S/C19H28N2O2/c22-18(20-14-8-3-1-4-9-14)16-12-7-13-17(16)19(23)21-15-10-5-2-6-11-15/h7,12-15,20,22H,1-6,8-11H2,(H,21,23)
InChIKeyUQSSTHYSMDDRCZ-UHFFFAOYSA-N
XLogP3.62
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-6-sulfanylidenecyclohexa-1,3-diene-1-carboxamide
CID 177243814
N-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide
CID 171081015
N-cyclohexylcarbamoyl chloride
CID 22252134
4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide
CID 23880547
2,6-dichloro-N-cyclohexylpyridine-4-carboxamide
CID 26719449
N-cyclohexyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 112513809
N-(4-cyclohexylcyclooctyl)benzamide
CID 166761299
2-N,5-N-dicyclohexylpyridine-2,5-dicarboxamide
CID 5195107
3,5-diamino-N-cyclooctylbenzamide
CID 61092511
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
4-bromo-N-cycloheptylbenzamide
CID 2843132
N-cyclooctyl-4-methylbenzamide
CID 3995245

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[(cyclohexylamino)-hydroxymethylidene]cyclopenta-1,3-diene-1-carboxamide?
The IUPAC name of N-cyclohexyl-5-[(cyclohexylamino)-hydroxymethylidene]cyclopenta-1,3-diene-1-carboxamide (CID 139905837) is N-cyclohexyl-5-[(cyclohexylamino)-hydroxymethylidene]cyclopenta-1,3-diene-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-[(cyclohexylamino)-hydroxymethylidene]cyclopenta-1,3-diene-1-carboxamide?
The canonical SMILES for N-cyclohexyl-5-[(cyclohexylamino)-hydroxymethylidene]cyclopenta-1,3-diene-1-carboxamide is O=C(NC1CCCCC1)C1=CC=CC1=C(O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-5-[(cyclohexylamino)-hydroxymethylidene]cyclopenta-1,3-diene-1-carboxamide?
The InChIKey is UQSSTHYSMDDRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c22-18(20-14-8-3-1-4-9-14)16-12-7-13-17(16)19(23)21-15-10-5-2-6-11-15/h7,12-15,20,22H,1-6,8-11H2,(H,21,23).
What are the key properties of N-cyclohexyl-5-[(cyclohexylamino)-hydroxymethylidene]cyclopenta-1,3-diene-1-carboxamide?
N-cyclohexyl-5-[(cyclohexylamino)-hydroxymethylidene]cyclopenta-1,3-diene-1-carboxamide has a molecular weight of 316.44 g/mol, XLogP of 3.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[(cyclohexylamino)-hydroxymethylidene]cyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 139905837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).