N-[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

C23H22N2O3 — CID 41037360

IUPACN-[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCC2)c1ccco1
InChIInChI=1S/C23H22N2O3/c26-22(24-19-12-11-17-8-4-9-18(17)15-19)20(14-16-6-2-1-3-7-16)25-23(27)21-10-5-13-28-21/h1-3,5-7,10-13,15,20H,4,8-9,14H2,(H,24,26)(H,25,27)/t20-/m1/s1
InChIKeyVUKATVVFEUFQJP-HXUWFJFHSA-N
MW374.44 g/mol
LogP3.75
Rot. Bonds6

About N-[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

N-[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (PubChem CID 41037360) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
PubChem CID41037360
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC NameN-[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCC2)c1ccco1
InChIInChI=1S/C23H22N2O3/c26-22(24-19-12-11-17-8-4-9-18(17)15-19)20(14-16-6-2-1-3-7-16)25-23(27)21-10-5-13-28-21/h1-3,5-7,10-13,15,20H,4,8-9,14H2,(H,24,26)(H,25,27)/t20-/m1/s1
InChIKeyVUKATVVFEUFQJP-HXUWFJFHSA-N
XLogP3.75
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 40939082
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CID 2207439
N-[1-(3-chloro-4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46508069
N-[(2S)-1-(4-methylsulfanylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 9153890
N-[1-oxo-3-phenyl-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide
CID 112762822
N-[1-[4-fluoro-3-[(2-phenylacetyl)amino]anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 112837580
N-[(2S)-1-oxo-3-phenyl-1-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)anilino]propan-2-yl]furan-2-carboxamide
CID 41323173
S-[4-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56579841
N-[1-[3-chloro-4-(2-methylpropoxy)anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46600099
N-[(2R)-1-anilino-1-oxo-3-phenylpropan-2-yl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 154845793
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] (2S)-2-(carbamoylamino)-3-phenylpropanoate
CID 8937845
N-[(2S)-1-(3-morpholin-4-ylsulfonylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 40863917

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (CID 41037360) is N-[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCC2)c1ccco1.
What is the InChIKey of N-[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The InChIKey is VUKATVVFEUFQJP-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H22N2O3/c26-22(24-19-12-11-17-8-4-9-18(17)15-19)20(14-16-6-2-1-3-7-16)25-23(27)21-10-5-13-28-21/h1-3,5-7,10-13,15,20H,4,8-9,14H2,(H,24,26)(H,25,27)/t20-/m1/s1.
What are the key properties of N-[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
N-[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 41037360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).