N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide

C19H18N2O4 — CID 58417462

IUPACN-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N[C@H](C)c2ccc(C(=O)NO)cc2)oc2ccccc12
InChIInChI=1S/C19H18N2O4/c1-11-15-5-3-4-6-16(15)25-17(11)19(23)20-12(2)13-7-9-14(10-8-13)18(22)21-24/h3-10,12,24H,1-2H3,(H,20,23)(H,21,22)/t12-/m1/s1
InChIKeyKDCLCXBFOCGHBW-GFCCVEGCSA-N
MW338.36 g/mol
LogP3.35
Rot. Bonds4

About N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide

N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 58417462) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID58417462
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N[C@H](C)c2ccc(C(=O)NO)cc2)oc2ccccc12
InChIInChI=1S/C19H18N2O4/c1-11-15-5-3-4-6-16(15)25-17(11)19(23)20-12(2)13-7-9-14(10-8-13)18(22)21-24/h3-10,12,24H,1-2H3,(H,20,23)(H,21,22)/t12-/m1/s1
InChIKeyKDCLCXBFOCGHBW-GFCCVEGCSA-N
XLogP3.35
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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
N-[(1R)-1-[3-(hydroxycarbamoyl)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 58417480
3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 51247168
(2R)-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 54990569
(3-methyl-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanone
CID 28880618
3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 27608073
3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 43238782
3-methyl-N-[(1S)-1-phenylpropyl]-1-benzofuran-2-carboxamide
CID 40636003
N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 32592662
3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 43357642
5-[(3-methyl-1-benzofuran-2-carbonyl)amino]hexanoic acid
CID 82845342
3-methyl-N-[(1R)-1-phenylethyl]benzo[g][1]benzofuran-2-carboxamide
CID 7945436

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide (CID 58417462) is N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)N[C@H](C)c2ccc(C(=O)NO)cc2)oc2ccccc12.
What is the InChIKey of N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is KDCLCXBFOCGHBW-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-11-15-5-3-4-6-16(15)25-17(11)19(23)20-12(2)13-7-9-14(10-8-13)18(22)21-24/h3-10,12,24H,1-2H3,(H,20,23)(H,21,22)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide?
N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 58417462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).