N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide

C20H21N3O2 — CID 9259414

IUPACN-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide
SMILESC/C(=N/NC(=O)c1oc2ccccc2c1C)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H21N3O2/c1-13-17-7-5-6-8-18(17)25-19(13)20(24)22-21-14(2)15-9-11-16(12-10-15)23(3)4/h5-12H,1-4H3,(H,22,24)/b21-14-
InChIKeyKAEZPZDOLUBQQP-STZFKDTASA-N
MW335.41 g/mol
LogP3.96
Rot. Bonds4

About N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide

N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 9259414) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID9259414
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide
SMILESC/C(=N/NC(=O)c1oc2ccccc2c1C)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H21N3O2/c1-13-17-7-5-6-8-18(17)25-19(13)20(24)22-21-14(2)15-9-11-16(12-10-15)23(3)4/h5-12H,1-4H3,(H,22,24)/b21-14-
InChIKeyKAEZPZDOLUBQQP-STZFKDTASA-N
XLogP3.96
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.96
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-[4-[(Z)-C-methyl-N-[(3-methyl-1-benzofuran-2-carbonyl)amino]carbonimidoyl]phenoxy]acetate
CID 9464288
N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 135800336
3-methyl-N-[(Z)-1-(2-oxochromen-3-yl)ethylideneamino]-1-benzofuran-2-carboxamide
CID 9464399
3-methyl-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-1-benzofuran-2-carboxamide
CID 9464531
N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9397289
3-[[4-(dimethylamino)benzoyl]amino]-1-benzofuran-2-carboxamide
CID 5051440
N-[(Z)-1-(2-methoxyphenyl)propan-2-ylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464723
3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 27608073
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-1H-pyrrole-2-carboxamide
CID 9026979
3-methyl-N-[(Z)-[(2S)-2-phenylpropylidene]amino]-1-benzofuran-2-carboxamide
CID 9464616
N-[(4-acetylphenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide
CID 1339791
[3-[4-(dimethylamino)phenyl]-1-benzofuran-2-yl]-phenylmethanone
CID 57336949

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide (CID 9259414) is N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide is C/C(=N/NC(=O)c1oc2ccccc2c1C)c1ccc(N(C)C)cc1.
What is the InChIKey of N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is KAEZPZDOLUBQQP-STZFKDTASA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-17-7-5-6-8-18(17)25-19(13)20(24)22-21-14(2)15-9-11-16(12-10-15)23(3)4/h5-12H,1-4H3,(H,22,24)/b21-14-.
What are the key properties of N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide?
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9259414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).