3-methyl-N-[(Z)-[(2S)-2-phenylpropylidene]amino]-1-benzofuran-2-carboxamide

C19H18N2O2 — CID 9464616

IUPAC3-methyl-N-[(Z)-[(2S)-2-phenylpropylidene]amino]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N/N=C\[C@@H](C)c2ccccc2)oc2ccccc12
InChIInChI=1S/C19H18N2O2/c1-13(15-8-4-3-5-9-15)12-20-21-19(22)18-14(2)16-10-6-7-11-17(16)23-18/h3-13H,1-2H3,(H,21,22)/b20-12-/t13-/m1/s1
InChIKeyWTZHVRZGJBCGEB-UAAGNOOKSA-N
MW306.37 g/mol
LogP4.26
Rot. Bonds4

About 3-methyl-N-[(Z)-[(2S)-2-phenylpropylidene]amino]-1-benzofuran-2-carboxamide

3-methyl-N-[(Z)-[(2S)-2-phenylpropylidene]amino]-1-benzofuran-2-carboxamide (PubChem CID 9464616) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-methyl-N-[(Z)-[(2S)-2-phenylpropylidene]amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(Z)-[(2S)-2-phenylpropylidene]amino]-1-benzofuran-2-carboxamide
PubChem CID9464616
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name3-methyl-N-[(Z)-[(2S)-2-phenylpropylidene]amino]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N/N=C\[C@@H](C)c2ccccc2)oc2ccccc12
InChIInChI=1S/C19H18N2O2/c1-13(15-8-4-3-5-9-15)12-20-21-19(22)18-14(2)16-10-6-7-11-17(16)23-18/h3-13H,1-2H3,(H,21,22)/b20-12-/t13-/m1/s1
InChIKeyWTZHVRZGJBCGEB-UAAGNOOKSA-N
XLogP4.26
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.26
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

3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 4570219
2-N,5-N-bis[(Z)-[(2S)-2-phenylpropylidene]amino]furan-2,5-dicarboxamide
CID 40571735
N-[(Z)-(4-bromophenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464455
(2R)-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 54990569
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464574
3-methyl-N-[(1S)-1-phenylpropyl]-1-benzofuran-2-carboxamide
CID 40636003
3-methyl-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-1-benzofuran-2-carboxamide
CID 9464531
N-(2-phenylpropylideneamino)-N'-[(E)-2-phenylpropylideneamino]oxamide
CID 21214243
3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 43238782
4-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide
CID 7722367
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464567
3-methyl-1-benzofuran-2-carboxylic acid
CID 600591

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(Z)-[(2S)-2-phenylpropylidene]amino]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-[(Z)-[(2S)-2-phenylpropylidene]amino]-1-benzofuran-2-carboxamide (CID 9464616) is 3-methyl-N-[(Z)-[(2S)-2-phenylpropylidene]amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[(Z)-[(2S)-2-phenylpropylidene]amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-[(Z)-[(2S)-2-phenylpropylidene]amino]-1-benzofuran-2-carboxamide is Cc1c(C(=O)N/N=C\[C@@H](C)c2ccccc2)oc2ccccc12.
What is the InChIKey of 3-methyl-N-[(Z)-[(2S)-2-phenylpropylidene]amino]-1-benzofuran-2-carboxamide?
The InChIKey is WTZHVRZGJBCGEB-UAAGNOOKSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13(15-8-4-3-5-9-15)12-20-21-19(22)18-14(2)16-10-6-7-11-17(16)23-18/h3-13H,1-2H3,(H,21,22)/b20-12-/t13-/m1/s1.
What are the key properties of 3-methyl-N-[(Z)-[(2S)-2-phenylpropylidene]amino]-1-benzofuran-2-carboxamide?
3-methyl-N-[(Z)-[(2S)-2-phenylpropylidene]amino]-1-benzofuran-2-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(Z)-[(2S)-2-phenylpropylidene]amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9464616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).