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

C18H29N3O — CID 9154161

IUPACN-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-3-methylbutanamide
SMILESCc1cc(/C=N\NC(=O)CC(C)C)c(C)n1C1CCCCC1
InChIInChI=1S/C18H29N3O/c1-13(2)10-18(22)20-19-12-16-11-14(3)21(15(16)4)17-8-6-5-7-9-17/h11-13,17H,5-10H2,1-4H3,(H,20,22)/b19-12-
InChIKeyDTNLZPLENCLDOH-UNOMPAQXSA-N
MW303.45 g/mol
LogP4.11
Rot. Bonds5

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

N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-3-methylbutanamide (PubChem CID 9154161) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-3-methylbutanamide
PubChem CID9154161
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-3-methylbutanamide
SMILESCc1cc(/C=N\NC(=O)CC(C)C)c(C)n1C1CCCCC1
InChIInChI=1S/C18H29N3O/c1-13(2)10-18(22)20-19-12-16-11-14(3)21(15(16)4)17-8-6-5-7-9-17/h11-13,17H,5-10H2,1-4H3,(H,20,22)/b19-12-
InChIKeyDTNLZPLENCLDOH-UNOMPAQXSA-N
XLogP4.11
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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]-2-(4-methoxyanilino)acetamide
CID 9143748
N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 9147614
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]benzo[e][1]benzofuran-2-carboxamide
CID 5434120
3-[[(E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)prop-2-enoyl]amino]-N-propan-2-ylpropanamide
CID 55599737
N-[(E)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide
CID 126412088
1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-(4-propan-2-ylphenyl)methanimine
CID 21209348
(E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide
CID 47123773
2-(cyclohexylamino)-N-[(Z)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 126382764
N'-[(E)-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 18206227
(E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide
CID 9302019
N-cyclohexyl-N'-[(E)-[1-(2,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]propanediamide
CID 94837314

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-3-methylbutanamide?
The IUPAC name of N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-3-methylbutanamide (CID 9154161) is N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-3-methylbutanamide.
What is the SMILES notation for N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-3-methylbutanamide?
The canonical SMILES for N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-3-methylbutanamide is Cc1cc(/C=N\NC(=O)CC(C)C)c(C)n1C1CCCCC1.
What is the InChIKey of N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-3-methylbutanamide?
The InChIKey is DTNLZPLENCLDOH-UNOMPAQXSA-N. The full InChI is InChI=1S/C18H29N3O/c1-13(2)10-18(22)20-19-12-16-11-14(3)21(15(16)4)17-8-6-5-7-9-17/h11-13,17H,5-10H2,1-4H3,(H,20,22)/b19-12-.
What are the key properties of N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-3-methylbutanamide?
N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-3-methylbutanamide has a molecular weight of 303.45 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-3-methylbutanamide is sourced from PubChem (CID 9154161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).