2-(4-methoxyanilino)-N-[(4-propylcyclohexylidene)amino]acetamide

C18H27N3O2 — CID 3504576

IUPAC2-(4-methoxyanilino)-N-[(4-propylcyclohexylidene)amino]acetamide
SMILESCCCC1CCC(=NNC(=O)CNc2ccc(OC)cc2)CC1
InChIInChI=1S/C18H27N3O2/c1-3-4-14-5-7-16(8-6-14)20-21-18(22)13-19-15-9-11-17(23-2)12-10-15/h9-12,14,19H,3-8,13H2,1-2H3,(H,21,22)/b20-16-
InChIKeyMWUQKYOVVHSEDE-SILNSSARSA-N
MW317.43 g/mol
LogP3.57
Rot. Bonds7

About 2-(4-methoxyanilino)-N-[(4-propylcyclohexylidene)amino]acetamide

2-(4-methoxyanilino)-N-[(4-propylcyclohexylidene)amino]acetamide (PubChem CID 3504576) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-N-[(4-propylcyclohexylidene)amino]acetamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-N-[(4-propylcyclohexylidene)amino]acetamide
PubChem CID3504576
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-(4-methoxyanilino)-N-[(4-propylcyclohexylidene)amino]acetamide
SMILESCCCC1CCC(=NNC(=O)CNc2ccc(OC)cc2)CC1
InChIInChI=1S/C18H27N3O2/c1-3-4-14-5-7-16(8-6-14)20-21-18(22)13-19-15-9-11-17(23-2)12-10-15/h9-12,14,19H,3-8,13H2,1-2H3,(H,21,22)/b20-16-
InChIKeyMWUQKYOVVHSEDE-SILNSSARSA-N
XLogP3.57
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-N-[(4-propylcyclohexylidene)amino]acetamide?
The IUPAC name of 2-(4-methoxyanilino)-N-[(4-propylcyclohexylidene)amino]acetamide (CID 3504576) is 2-(4-methoxyanilino)-N-[(4-propylcyclohexylidene)amino]acetamide.
What is the SMILES notation for 2-(4-methoxyanilino)-N-[(4-propylcyclohexylidene)amino]acetamide?
The canonical SMILES for 2-(4-methoxyanilino)-N-[(4-propylcyclohexylidene)amino]acetamide is CCCC1CCC(=NNC(=O)CNc2ccc(OC)cc2)CC1.
What is the InChIKey of 2-(4-methoxyanilino)-N-[(4-propylcyclohexylidene)amino]acetamide?
The InChIKey is MWUQKYOVVHSEDE-SILNSSARSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-4-14-5-7-16(8-6-14)20-21-18(22)13-19-15-9-11-17(23-2)12-10-15/h9-12,14,19H,3-8,13H2,1-2H3,(H,21,22)/b20-16-.
What are the key properties of 2-(4-methoxyanilino)-N-[(4-propylcyclohexylidene)amino]acetamide?
2-(4-methoxyanilino)-N-[(4-propylcyclohexylidene)amino]acetamide has a molecular weight of 317.43 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-N-[(4-propylcyclohexylidene)amino]acetamide is sourced from PubChem (CID 3504576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).