N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-(4-methoxyanilino)acetamide

C22H30N4O2 — CID 9143748

IUPACN-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-(4-methoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)N/N=C\c2cc(C)n(C3CCCCC3)c2C)cc1
InChIInChI=1S/C22H30N4O2/c1-16-13-18(17(2)26(16)20-7-5-4-6-8-20)14-24-25-22(27)15-23-19-9-11-21(28-3)12-10-19/h9-14,20,23H,4-8,15H2,1-3H3,(H,25,27)/b24-14-
InChIKeyFOKVIKDIGXNVOT-OYKKKHCWSA-N
MW382.51 g/mol
LogP4.18
Rot. Bonds7

About N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-(4-methoxyanilino)acetamide

N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-(4-methoxyanilino)acetamide (PubChem CID 9143748) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-(4-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-(4-methoxyanilino)acetamide
PubChem CID9143748
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-(4-methoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)N/N=C\c2cc(C)n(C3CCCCC3)c2C)cc1
InChIInChI=1S/C22H30N4O2/c1-16-13-18(17(2)26(16)20-7-5-4-6-8-20)14-24-25-22(27)15-23-19-9-11-21(28-3)12-10-19/h9-14,20,23H,4-8,15H2,1-3H3,(H,25,27)/b24-14-
InChIKeyFOKVIKDIGXNVOT-OYKKKHCWSA-N
XLogP4.18
TPSA67.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-(4-methoxyanilino)ethanone
CID 110655150
N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-3-methylbutanamide
CID 9154161
(Z)-2-cyano-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-(4-methoxyphenyl)prop-2-enamide
CID 2188180
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide
CID 767055
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]-2-methylfuran-3-carboxamide
CID 9147614
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 871407
2-anilino-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 136662896
2-anilino-N-[(Z)-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]acetamide
CID 7933354
N-[(Z)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methylideneamino]-2-(3-methoxyanilino)acetamide
CID 9039338
N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 5434120
2-(4-bromoanilino)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135678709

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-(4-methoxyanilino)acetamide?
The IUPAC name of N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-(4-methoxyanilino)acetamide (CID 9143748) is N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-(4-methoxyanilino)acetamide.
What is the SMILES notation for N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-(4-methoxyanilino)acetamide?
The canonical SMILES for N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-(4-methoxyanilino)acetamide is COc1ccc(NCC(=O)N/N=C\c2cc(C)n(C3CCCCC3)c2C)cc1.
What is the InChIKey of N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-(4-methoxyanilino)acetamide?
The InChIKey is FOKVIKDIGXNVOT-OYKKKHCWSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-16-13-18(17(2)26(16)20-7-5-4-6-8-20)14-24-25-22(27)15-23-19-9-11-21(28-3)12-10-19/h9-14,20,23H,4-8,15H2,1-3H3,(H,25,27)/b24-14-.
What are the key properties of N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-(4-methoxyanilino)acetamide?
N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-(4-methoxyanilino)acetamide has a molecular weight of 382.51 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-(4-methoxyanilino)acetamide is sourced from PubChem (CID 9143748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).