N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide

C19H18N2O4 — CID 94029246

IUPACN-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
SMILESCOc1ccc2oc(C)c(C(=O)N[C@H](C(N)=O)c3ccccc3)c2c1
InChIInChI=1S/C19H18N2O4/c1-11-16(14-10-13(24-2)8-9-15(14)25-11)19(23)21-17(18(20)22)12-6-4-3-5-7-12/h3-10,17H,1-2H3,(H2,20,22)(H,21,23)/t17-/m0/s1
InChIKeyCGKRCXWGYQVGTL-KRWDZBQOSA-N
MW338.36 g/mol
LogP2.71
Rot. Bonds5

About N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide

N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 94029246) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
PubChem CID94029246
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
SMILESCOc1ccc2oc(C)c(C(=O)N[C@H](C(N)=O)c3ccccc3)c2c1
InChIInChI=1S/C19H18N2O4/c1-11-16(14-10-13(24-2)8-9-15(14)25-11)19(23)21-17(18(20)22)12-6-4-3-5-7-12/h3-10,17H,1-2H3,(H2,20,22)(H,21,23)/t17-/m0/s1
InChIKeyCGKRCXWGYQVGTL-KRWDZBQOSA-N
XLogP2.71
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-oxo-1-phenylethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 47017553
2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]propanoic acid
CID 82043387
N-(3-hydroxy-3-phenylpropyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 111471937
(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone
CID 900013
N-[1-(2,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 55792336
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379295
N-(2-bromophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 51065520
N'-(2-chlorobenzoyl)-5-methoxy-2-methyl-1-benzofuran-3-carbohydrazide
CID 55787551
N-(2-amino-2-oxo-1-phenylethyl)-4-methoxybenzamide
CID 51315270
5-methoxy-2-methyl-N-(3-methylphenyl)-1-benzofuran-3-carboxamide
CID 51065526
N-(1-hydroxy-3-oxopropan-2-yl)-5-(2-methoxy-1-phenylethoxy)-2-methyl-1-benzofuran-3-carboxamide;methanamine
CID 163379422
4-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]butanoic acid
CID 13415654

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide (CID 94029246) is N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide is COc1ccc2oc(C)c(C(=O)N[C@H](C(N)=O)c3ccccc3)c2c1.
What is the InChIKey of N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is CGKRCXWGYQVGTL-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-11-16(14-10-13(24-2)8-9-15(14)25-11)19(23)21-17(18(20)22)12-6-4-3-5-7-12/h3-10,17H,1-2H3,(H2,20,22)(H,21,23)/t17-/m0/s1.
What are the key properties of N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 94029246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).