N-[(2S)-1-oxo-1-[[(3R)-2-oxo-1-phenylazetidin-3-yl]amino]propan-2-yl]furan-3-carboxamide

C17H17N3O4 — CID 97349458

IUPACN-[(2S)-1-oxo-1-[[(3R)-2-oxo-1-phenylazetidin-3-yl]amino]propan-2-yl]furan-3-carboxamide
SMILESC[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1CN(c2ccccc2)C1=O
InChIInChI=1S/C17H17N3O4/c1-11(18-16(22)12-7-8-24-10-12)15(21)19-14-9-20(17(14)23)13-5-3-2-4-6-13/h2-8,10-11,14H,9H2,1H3,(H,18,22)(H,19,21)/t11-,14+/m0/s1
InChIKeyVYSHTOVLQTXQOR-SMDDNHRTSA-N
MW327.34 g/mol
LogP0.93
Rot. Bonds5

About N-[(2S)-1-oxo-1-[[(3R)-2-oxo-1-phenylazetidin-3-yl]amino]propan-2-yl]furan-3-carboxamide

N-[(2S)-1-oxo-1-[[(3R)-2-oxo-1-phenylazetidin-3-yl]amino]propan-2-yl]furan-3-carboxamide (PubChem CID 97349458) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-[[(3R)-2-oxo-1-phenylazetidin-3-yl]amino]propan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-[[(3R)-2-oxo-1-phenylazetidin-3-yl]amino]propan-2-yl]furan-3-carboxamide
PubChem CID97349458
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-[(2S)-1-oxo-1-[[(3R)-2-oxo-1-phenylazetidin-3-yl]amino]propan-2-yl]furan-3-carboxamide
SMILESC[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1CN(c2ccccc2)C1=O
InChIInChI=1S/C17H17N3O4/c1-11(18-16(22)12-7-8-24-10-12)15(21)19-14-9-20(17(14)23)13-5-3-2-4-6-13/h2-8,10-11,14H,9H2,1H3,(H,18,22)(H,19,21)/t11-,14+/m0/s1
InChIKeyVYSHTOVLQTXQOR-SMDDNHRTSA-N
XLogP0.93
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-oxo-1-[[(3R)-2-oxo-1-phenylazetidin-3-yl]amino]propan-2-yl]furan-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 94170401
N-[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 136512280
N-[(2S)-1-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 95614827
N-[1-oxo-1-(3-phenylbutylamino)propan-2-yl]furan-3-carboxamide
CID 51103926
N-[(2S)-1-[[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 95157191
2-[2-(furan-3-carbonylamino)propanoylamino]-2-methylbutanoic acid
CID 119199037
N-[(2S)-1-oxo-1-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]propan-2-yl]furan-3-carboxamide
CID 51965104
(2S)-2-[2-(furan-3-carbonylamino)propanoylamino]-3-methylbutanoic acid
CID 119359772
N-(3-oxobutan-2-yl)furan-3-carboxamide
CID 64997031
N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119527496
N-[(2S)-1-[[(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 97000557
N-[(2S)-1-[[(1S,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 97000559

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-[[(3R)-2-oxo-1-phenylazetidin-3-yl]amino]propan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[(2S)-1-oxo-1-[[(3R)-2-oxo-1-phenylazetidin-3-yl]amino]propan-2-yl]furan-3-carboxamide (CID 97349458) is N-[(2S)-1-oxo-1-[[(3R)-2-oxo-1-phenylazetidin-3-yl]amino]propan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-[[(3R)-2-oxo-1-phenylazetidin-3-yl]amino]propan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[(2S)-1-oxo-1-[[(3R)-2-oxo-1-phenylazetidin-3-yl]amino]propan-2-yl]furan-3-carboxamide is C[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1CN(c2ccccc2)C1=O.
What is the InChIKey of N-[(2S)-1-oxo-1-[[(3R)-2-oxo-1-phenylazetidin-3-yl]amino]propan-2-yl]furan-3-carboxamide?
The InChIKey is VYSHTOVLQTXQOR-SMDDNHRTSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-11(18-16(22)12-7-8-24-10-12)15(21)19-14-9-20(17(14)23)13-5-3-2-4-6-13/h2-8,10-11,14H,9H2,1H3,(H,18,22)(H,19,21)/t11-,14+/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-[[(3R)-2-oxo-1-phenylazetidin-3-yl]amino]propan-2-yl]furan-3-carboxamide?
N-[(2S)-1-oxo-1-[[(3R)-2-oxo-1-phenylazetidin-3-yl]amino]propan-2-yl]furan-3-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-[[(3R)-2-oxo-1-phenylazetidin-3-yl]amino]propan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 97349458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).