N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-methylfuran-3-carboxamide

C19H25N3O2 — CID 9147614

IUPACN-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N/N=C\c1cc(C)n(C2CCCCC2)c1C
InChIInChI=1S/C19H25N3O2/c1-13-11-16(14(2)22(13)17-7-5-4-6-8-17)12-20-21-19(23)18-9-10-24-15(18)3/h9-12,17H,4-8H2,1-3H3,(H,21,23)/b20-12-
InChIKeyLEVKKLKTAZCEHN-NDENLUEZSA-N
MW327.43 g/mol
LogP4.28
Rot. Bonds4

About N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-methylfuran-3-carboxamide

N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-methylfuran-3-carboxamide (PubChem CID 9147614) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-methylfuran-3-carboxamide
PubChem CID9147614
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N/N=C\c1cc(C)n(C2CCCCC2)c1C
InChIInChI=1S/C19H25N3O2/c1-13-11-16(14(2)22(13)17-7-5-4-6-8-17)12-20-21-19(23)18-9-10-24-15(18)3/h9-12,17H,4-8H2,1-3H3,(H,21,23)/b20-12-
InChIKeyLEVKKLKTAZCEHN-NDENLUEZSA-N
XLogP4.28
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]furan-2-carboxamide
CID 9149292
N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-3-methylbutanamide
CID 9154161
N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 5434120
N-[(E)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide
CID 126412088
N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-(4-methoxyanilino)acetamide
CID 9143748
N'-[(E)-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 18206227
N-[(Z)-(2-fluorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 5402053
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 135781724
2-methyl-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 9359487
2-methyl-N-[(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 761677
2-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 6886797
2-methyl-N-[(Z)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide
CID 5402054

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-methylfuran-3-carboxamide (CID 9147614) is N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)N/N=C\c1cc(C)n(C2CCCCC2)c1C.
What is the InChIKey of N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-methylfuran-3-carboxamide?
The InChIKey is LEVKKLKTAZCEHN-NDENLUEZSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13-11-16(14(2)22(13)17-7-5-4-6-8-17)12-20-21-19(23)18-9-10-24-15(18)3/h9-12,17H,4-8H2,1-3H3,(H,21,23)/b20-12-.
What are the key properties of N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-methylfuran-3-carboxamide?
N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-methylfuran-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 9147614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).