N-[(2R)-1-anilino-1-oxo-3-phenylpropan-2-yl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide

C28H28N2O3 — CID 154845793

IUPACN-[(2R)-1-anilino-1-oxo-3-phenylpropan-2-yl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)CCC2)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C28H28N2O3/c31-26(23-15-14-21-10-7-11-22(21)19-23)16-17-27(32)30-25(18-20-8-3-1-4-9-20)28(33)29-24-12-5-2-6-13-24/h1-6,8-9,12-15,19,25H,7,10-11,16-18H2,(H,29,33)(H,30,32)/t25-/m1/s1
InChIKeyUNKXXVRHBRPGKG-RUZDIDTESA-N
MW440.54 g/mol
LogP4.50
Rot. Bonds9

About N-[(2R)-1-anilino-1-oxo-3-phenylpropan-2-yl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide

N-[(2R)-1-anilino-1-oxo-3-phenylpropan-2-yl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide (PubChem CID 154845793) has the molecular formula C28H28N2O3 and a molecular weight of 440.54 g/mol. Its IUPAC name is N-[(2R)-1-anilino-1-oxo-3-phenylpropan-2-yl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[(2R)-1-anilino-1-oxo-3-phenylpropan-2-yl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
PubChem CID154845793
Molecular FormulaC28H28N2O3
Molecular Weight440.54 g/mol
Exact Mass440.21
IUPAC NameN-[(2R)-1-anilino-1-oxo-3-phenylpropan-2-yl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)CCC2)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C28H28N2O3/c31-26(23-15-14-21-10-7-11-22(21)19-23)16-17-27(32)30-25(18-20-8-3-1-4-9-20)28(33)29-24-12-5-2-6-13-24/h1-6,8-9,12-15,19,25H,7,10-11,16-18H2,(H,29,33)(H,30,32)/t25-/m1/s1
InChIKeyUNKXXVRHBRPGKG-RUZDIDTESA-N
XLogP4.50
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione
CID 90371119
2-[2-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]phenyl]acetic acid
CID 119353174
3-(4-acetyloxyphenyl)-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]propanoic acid
CID 108807119
N-[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 41037360
(2S)-2-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]-3-methylbutanoic acid
CID 119360111
(2S)-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]pentanedioic acid
CID 108795688
4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]benzamide
CID 9441784
2-(2,3-dihydro-1H-inden-5-yl)-2-oxo-N-phenylacetamide
CID 47406539
2-[(4-oxo-4-phenylbutanoyl)amino]-3-phenylpropanoic acid
CID 13294988
N-(2-benzylsulfanylethyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 31334457
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 25486470
4-(2,3-dihydro-1H-inden-5-yl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-4-oxobutanamide
CID 55585146

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-anilino-1-oxo-3-phenylpropan-2-yl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide?
The IUPAC name of N-[(2R)-1-anilino-1-oxo-3-phenylpropan-2-yl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide (CID 154845793) is N-[(2R)-1-anilino-1-oxo-3-phenylpropan-2-yl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide.
What is the SMILES notation for N-[(2R)-1-anilino-1-oxo-3-phenylpropan-2-yl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide?
The canonical SMILES for N-[(2R)-1-anilino-1-oxo-3-phenylpropan-2-yl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide is O=C(CCC(=O)c1ccc2c(c1)CCC2)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of N-[(2R)-1-anilino-1-oxo-3-phenylpropan-2-yl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide?
The InChIKey is UNKXXVRHBRPGKG-RUZDIDTESA-N. The full InChI is InChI=1S/C28H28N2O3/c31-26(23-15-14-21-10-7-11-22(21)19-23)16-17-27(32)30-25(18-20-8-3-1-4-9-20)28(33)29-24-12-5-2-6-13-24/h1-6,8-9,12-15,19,25H,7,10-11,16-18H2,(H,29,33)(H,30,32)/t25-/m1/s1.
What are the key properties of N-[(2R)-1-anilino-1-oxo-3-phenylpropan-2-yl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide?
N-[(2R)-1-anilino-1-oxo-3-phenylpropan-2-yl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide has a molecular weight of 440.54 g/mol, XLogP of 4.50, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-anilino-1-oxo-3-phenylpropan-2-yl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide is sourced from PubChem (CID 154845793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).