2-methyl-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]furan-3-carboxamide

C17H20N2O3 — CID 9359525

IUPAC2-methyl-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]furan-3-carboxamide
SMILESC/C(=N/NC(=O)c1ccoc1C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H20N2O3/c1-11(2)22-15-7-5-14(6-8-15)12(3)18-19-17(20)16-9-10-21-13(16)4/h5-11H,1-4H3,(H,19,20)/b18-12-
InChIKeyZXZLORVOYXIFAA-PDGQHHTCSA-N
MW300.36 g/mol
LogP3.53
Rot. Bonds5

About 2-methyl-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]furan-3-carboxamide

2-methyl-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]furan-3-carboxamide (PubChem CID 9359525) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-methyl-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]furan-3-carboxamide
PubChem CID9359525
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-methyl-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]furan-3-carboxamide
SMILESC/C(=N/NC(=O)c1ccoc1C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H20N2O3/c1-11(2)22-15-7-5-14(6-8-15)12(3)18-19-17(20)16-9-10-21-13(16)4/h5-11H,1-4H3,(H,19,20)/b18-12-
InChIKeyZXZLORVOYXIFAA-PDGQHHTCSA-N
XLogP3.53
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.53
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

2-methyl-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]furan-3-carboxamide
CID 9359637
N-[(Z)-1-phenylethylideneamino]-4-propan-2-yloxybenzamide
CID 9215513
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 3473890
N-[4-[(E)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyridine-4-carboxamide
CID 5454909
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide
CID 9215396
N-[(E)-1-[4-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 5431788
N-[(Z)-1-[4-[[(2R)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 28873113
ethyl N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]carbamate
CID 9075932
N-[1-(4-cyclopentylsulfonylphenyl)ethylideneamino]-2-methylfuran-3-carboxamide
CID 71897518
N-[(Z)-1-[4-(cyclobutanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 6064694
3,4,5-trimethoxy-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]benzamide
CID 9231843
N-[(Z)-1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 6005646

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]furan-3-carboxamide (CID 9359525) is 2-methyl-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]furan-3-carboxamide is C/C(=N/NC(=O)c1ccoc1C)c1ccc(OC(C)C)cc1.
What is the InChIKey of 2-methyl-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]furan-3-carboxamide?
The InChIKey is ZXZLORVOYXIFAA-PDGQHHTCSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11(2)22-15-7-5-14(6-8-15)12(3)18-19-17(20)16-9-10-21-13(16)4/h5-11H,1-4H3,(H,19,20)/b18-12-.
What are the key properties of 2-methyl-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]furan-3-carboxamide?
2-methyl-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]furan-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]furan-3-carboxamide is sourced from PubChem (CID 9359525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).