N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylfuran-2-carboxamide

C21H18N2O4 — CID 142753560

IUPACN-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylfuran-2-carboxamide
SMILESNC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1occc1-c1ccccc1
InChIInChI=1S/C21H18N2O4/c22-20(25)18(24)17(13-14-7-3-1-4-8-14)23-21(26)19-16(11-12-27-19)15-9-5-2-6-10-15/h1-12,17H,13H2,(H2,22,25)(H,23,26)/t17-/m0/s1
InChIKeyBVZMNCARGAHHFV-KRWDZBQOSA-N
MW362.39 g/mol
LogP2.34
Rot. Bonds7

About N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylfuran-2-carboxamide

N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylfuran-2-carboxamide (PubChem CID 142753560) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylfuran-2-carboxamide
PubChem CID142753560
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC NameN-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylfuran-2-carboxamide
SMILESNC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1occc1-c1ccccc1
InChIInChI=1S/C21H18N2O4/c22-20(25)18(24)17(13-14-7-3-1-4-8-14)23-21(26)19-16(11-12-27-19)15-9-5-2-6-10-15/h1-12,17H,13H2,(H2,22,25)(H,23,26)/t17-/m0/s1
InChIKeyBVZMNCARGAHHFV-KRWDZBQOSA-N
XLogP2.34
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-phenylbenzamide
CID 54553924
(2S)-3-hydroxy-2-[(3-phenylfuran-2-carbonyl)amino]propanoic acid
CID 61152901
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-chlorofuran-3-yl)-2-methyl-1,3-oxazole-5-carboxamide
CID 153386164
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-phenyl-1,2-oxazole-5-carboxamide
CID 147683869
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-fluorobenzamide
CID 150964230
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,3-oxazole-4-carboxamide
CID 134397018
(2S)-2-[(3-methylfuran-2-carbonyl)amino]-3-phenylpropanoic acid
CID 30049147
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-4-phenylpyrazole-5-carboxamide
CID 134396938
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-bromobenzamide
CID 162475674
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2-methylfuran-3-yl)pyrazole-4-carboxamide
CID 155479055
N-(1-hydroxypentan-3-yl)-3-phenylfuran-2-carboxamide
CID 109479214
2-[(3-phenylfuran-2-carbonyl)amino]oxyacetic acid
CID 63914694

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylfuran-2-carboxamide?
The IUPAC name of N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylfuran-2-carboxamide (CID 142753560) is N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylfuran-2-carboxamide.
What is the SMILES notation for N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylfuran-2-carboxamide?
The canonical SMILES for N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylfuran-2-carboxamide is NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1occc1-c1ccccc1.
What is the InChIKey of N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylfuran-2-carboxamide?
The InChIKey is BVZMNCARGAHHFV-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H18N2O4/c22-20(25)18(24)17(13-14-7-3-1-4-8-14)23-21(26)19-16(11-12-27-19)15-9-5-2-6-10-15/h1-12,17H,13H2,(H2,22,25)(H,23,26)/t17-/m0/s1.
What are the key properties of N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylfuran-2-carboxamide?
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylfuran-2-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylfuran-2-carboxamide is sourced from PubChem (CID 142753560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).