N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-methyl-1-benzofuran-7-carboxamide

C19H18N2O4 — CID 77094303

IUPACN-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-methyl-1-benzofuran-7-carboxamide
SMILESCc1cc2cccc(C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)c2o1
InChIInChI=1S/C19H18N2O4/c1-11-9-13-3-2-4-15(17(13)25-11)19(24)21-16(18(20)23)10-12-5-7-14(22)8-6-12/h2-9,16,22H,10H2,1H3,(H2,20,23)(H,21,24)/t16-/m0/s1
InChIKeyMZWXIBUJFOBZRX-INIZCTEOSA-N
MW338.36 g/mol
LogP2.27
Rot. Bonds5

About N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-methyl-1-benzofuran-7-carboxamide

N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-methyl-1-benzofuran-7-carboxamide (PubChem CID 77094303) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-methyl-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-methyl-1-benzofuran-7-carboxamide
PubChem CID77094303
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-methyl-1-benzofuran-7-carboxamide
SMILESCc1cc2cccc(C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)c2o1
InChIInChI=1S/C19H18N2O4/c1-11-9-13-3-2-4-15(17(13)25-11)19(24)21-16(18(20)23)10-12-5-7-14(22)8-6-12/h2-9,16,22H,10H2,1H3,(H2,20,23)(H,21,24)/t16-/m0/s1
InChIKeyMZWXIBUJFOBZRX-INIZCTEOSA-N
XLogP2.27
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(4-hydroxyphenyl)propanoate
CID 69207158
bis(2-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]benzoic acid);ethane-1,1-diamine
CID 70569560
N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-(methanesulfonamido)benzamide
CID 171697813
(2S)-2-[(2-acetamidoacetyl)amino]-3-(4-hydroxyphenyl)propanamide
CID 172868534
2-[[1-ethoxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]benzoic acid
CID 68842473
3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)propanoylamino]propanamide
CID 71080092
ethane;2-[2-(hydroxyamino)ethylamino]-3-(4-hydroxyphenyl)propanamide
CID 142338816
N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-methylprop-2-enamide
CID 19980707
2-hydrazinyl-3-(4-hydroxyphenyl)propanamide
CID 144742434
2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)propanamide
CID 4667426
N-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-6-morpholin-4-ylpyridine-2-carboxamide
CID 171688836
[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 155091237

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-methyl-1-benzofuran-7-carboxamide?
The IUPAC name of N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-methyl-1-benzofuran-7-carboxamide (CID 77094303) is N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-methyl-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-methyl-1-benzofuran-7-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-methyl-1-benzofuran-7-carboxamide is Cc1cc2cccc(C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)c2o1.
What is the InChIKey of N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-methyl-1-benzofuran-7-carboxamide?
The InChIKey is MZWXIBUJFOBZRX-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-11-9-13-3-2-4-15(17(13)25-11)19(24)21-16(18(20)23)10-12-5-7-14(22)8-6-12/h2-9,16,22H,10H2,1H3,(H2,20,23)(H,21,24)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-methyl-1-benzofuran-7-carboxamide?
N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-methyl-1-benzofuran-7-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-methyl-1-benzofuran-7-carboxamide is sourced from PubChem (CID 77094303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).