N-[(2R)-3-hydroxy-1-(methylamino)-1-oxopropan-2-yl]-4,5-dimethyl-2-phenylfuran-3-carboxamide

C17H20N2O4 — CID 99827246

IUPACN-[(2R)-3-hydroxy-1-(methylamino)-1-oxopropan-2-yl]-4,5-dimethyl-2-phenylfuran-3-carboxamide
SMILESCNC(=O)[C@@H](CO)NC(=O)c1c(-c2ccccc2)oc(C)c1C
InChIInChI=1S/C17H20N2O4/c1-10-11(2)23-15(12-7-5-4-6-8-12)14(10)17(22)19-13(9-20)16(21)18-3/h4-8,13,20H,9H2,1-3H3,(H,18,21)(H,19,22)/t13-/m1/s1
InChIKeyVDPPKDPAOHMBBZ-CYBMUJFWSA-N
MW316.36 g/mol
LogP1.40
Rot. Bonds5

About N-[(2R)-3-hydroxy-1-(methylamino)-1-oxopropan-2-yl]-4,5-dimethyl-2-phenylfuran-3-carboxamide

N-[(2R)-3-hydroxy-1-(methylamino)-1-oxopropan-2-yl]-4,5-dimethyl-2-phenylfuran-3-carboxamide (PubChem CID 99827246) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[(2R)-3-hydroxy-1-(methylamino)-1-oxopropan-2-yl]-4,5-dimethyl-2-phenylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-hydroxy-1-(methylamino)-1-oxopropan-2-yl]-4,5-dimethyl-2-phenylfuran-3-carboxamide
PubChem CID99827246
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-[(2R)-3-hydroxy-1-(methylamino)-1-oxopropan-2-yl]-4,5-dimethyl-2-phenylfuran-3-carboxamide
SMILESCNC(=O)[C@@H](CO)NC(=O)c1c(-c2ccccc2)oc(C)c1C
InChIInChI=1S/C17H20N2O4/c1-10-11(2)23-15(12-7-5-4-6-8-12)14(10)17(22)19-13(9-20)16(21)18-3/h4-8,13,20H,9H2,1-3H3,(H,18,21)(H,19,22)/t13-/m1/s1
InChIKeyVDPPKDPAOHMBBZ-CYBMUJFWSA-N
XLogP1.40
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4,5-dimethyl-2-phenylfuran-3-carboxamide
CID 139012584
(2S)-2-[(5-bromo-2,4-dimethylfuran-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 166307721
3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 43357642
N-(2-benzamidoethyl)-2,4,5-trimethylfuran-3-carboxamide
CID 38205917
4-amino-4-oxo-2-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid
CID 43357141
1,1'-biphenyl;3-hydroxy-2-(methylamino)propanoic acid
CID 174733531
N,5-dimethyl-2-phenyl-1-benzofuran-3-carboxamide
CID 10333083
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379295
2-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]benzoic acid
CID 60940712
ethyl 4-hydroxy-5-methyl-2-phenylfuran-3-carboxylate
CID 117059608
2,5-bis(4-methylphenyl)-3-N,4-N-diphenylfuran-3,4-dicarboxamide
CID 10576901
3-hydroxy-N-methyl-2-phenylpropanamide
CID 13215111

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-hydroxy-1-(methylamino)-1-oxopropan-2-yl]-4,5-dimethyl-2-phenylfuran-3-carboxamide?
The IUPAC name of N-[(2R)-3-hydroxy-1-(methylamino)-1-oxopropan-2-yl]-4,5-dimethyl-2-phenylfuran-3-carboxamide (CID 99827246) is N-[(2R)-3-hydroxy-1-(methylamino)-1-oxopropan-2-yl]-4,5-dimethyl-2-phenylfuran-3-carboxamide.
What is the SMILES notation for N-[(2R)-3-hydroxy-1-(methylamino)-1-oxopropan-2-yl]-4,5-dimethyl-2-phenylfuran-3-carboxamide?
The canonical SMILES for N-[(2R)-3-hydroxy-1-(methylamino)-1-oxopropan-2-yl]-4,5-dimethyl-2-phenylfuran-3-carboxamide is CNC(=O)[C@@H](CO)NC(=O)c1c(-c2ccccc2)oc(C)c1C.
What is the InChIKey of N-[(2R)-3-hydroxy-1-(methylamino)-1-oxopropan-2-yl]-4,5-dimethyl-2-phenylfuran-3-carboxamide?
The InChIKey is VDPPKDPAOHMBBZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-10-11(2)23-15(12-7-5-4-6-8-12)14(10)17(22)19-13(9-20)16(21)18-3/h4-8,13,20H,9H2,1-3H3,(H,18,21)(H,19,22)/t13-/m1/s1.
What are the key properties of N-[(2R)-3-hydroxy-1-(methylamino)-1-oxopropan-2-yl]-4,5-dimethyl-2-phenylfuran-3-carboxamide?
N-[(2R)-3-hydroxy-1-(methylamino)-1-oxopropan-2-yl]-4,5-dimethyl-2-phenylfuran-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-hydroxy-1-(methylamino)-1-oxopropan-2-yl]-4,5-dimethyl-2-phenylfuran-3-carboxamide is sourced from PubChem (CID 99827246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).