N-[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide

C17H18N2O4 — CID 136512280

IUPACN-[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)C(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C17H18N2O4/c1-10(18-17(22)12-6-7-23-9-12)16(21)19-15-13-5-3-2-4-11(13)8-14(15)20/h2-7,9-10,14-15,20H,8H2,1H3,(H,18,22)(H,19,21)
InChIKeyYDOJNBFDMXHPCP-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.17
Rot. Bonds4

About N-[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide

N-[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 136512280) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID136512280
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)C(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C17H18N2O4/c1-10(18-17(22)12-6-7-23-9-12)16(21)19-15-13-5-3-2-4-11(13)8-14(15)20/h2-7,9-10,14-15,20H,8H2,1H3,(H,18,22)(H,19,21)
InChIKeyYDOJNBFDMXHPCP-UHFFFAOYSA-N
XLogP1.17
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide with MolForge

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Related Compounds

N-[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-oxopropan-2-yl]benzamide
CID 110903499
N-[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 110903621
(2S)-2-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 16720820
N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylpropanamide
CID 70273214
N-[(2S)-1-oxo-1-[[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]propan-2-yl]furan-3-carboxamide
CID 124734055
N-[(2S)-1-oxo-1-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]propan-2-yl]furan-3-carboxamide
CID 124734053
2-acetamido-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbutanamide
CID 103819065
2-acetamido-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbutanamide
CID 103625684
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-(2-methylpropanoylamino)benzamide
CID 136512281
N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride
CID 120557066
N-[(2S)-1-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 95614827
N-(3-oxobutan-2-yl)furan-3-carboxamide
CID 64997031

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide (CID 136512280) is N-[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide is CC(NC(=O)c1ccoc1)C(=O)NC1c2ccccc2CC1O.
What is the InChIKey of N-[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is YDOJNBFDMXHPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-10(18-17(22)12-6-7-23-9-12)16(21)19-15-13-5-3-2-4-11(13)8-14(15)20/h2-7,9-10,14-15,20H,8H2,1H3,(H,18,22)(H,19,21).
What are the key properties of N-[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide?
N-[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 136512280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).