1-acetyl-N-[(2R)-1-(4-phenylphenyl)propan-2-yl]-2,3-dihydroindole-5-carboxamide

C26H26N2O2 — CID 51959933

IUPAC1-acetyl-N-[(2R)-1-(4-phenylphenyl)propan-2-yl]-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)N[C@H](C)Cc3ccc(-c4ccccc4)cc3)ccc21
InChIInChI=1S/C26H26N2O2/c1-18(16-20-8-10-22(11-9-20)21-6-4-3-5-7-21)27-26(30)24-12-13-25-23(17-24)14-15-28(25)19(2)29/h3-13,17-18H,14-16H2,1-2H3,(H,27,30)/t18-/m1/s1
InChIKeyIJDOTRMIKXMUNC-GOSISDBHSA-N
MW398.51 g/mol
LogP4.62
Rot. Bonds5

About 1-acetyl-N-[(2R)-1-(4-phenylphenyl)propan-2-yl]-2,3-dihydroindole-5-carboxamide

1-acetyl-N-[(2R)-1-(4-phenylphenyl)propan-2-yl]-2,3-dihydroindole-5-carboxamide (PubChem CID 51959933) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-acetyl-N-[(2R)-1-(4-phenylphenyl)propan-2-yl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(2R)-1-(4-phenylphenyl)propan-2-yl]-2,3-dihydroindole-5-carboxamide
PubChem CID51959933
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name1-acetyl-N-[(2R)-1-(4-phenylphenyl)propan-2-yl]-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)N[C@H](C)Cc3ccc(-c4ccccc4)cc3)ccc21
InChIInChI=1S/C26H26N2O2/c1-18(16-20-8-10-22(11-9-20)21-6-4-3-5-7-21)27-26(30)24-12-13-25-23(17-24)14-15-28(25)19(2)29/h3-13,17-18H,14-16H2,1-2H3,(H,27,30)/t18-/m1/s1
InChIKeyIJDOTRMIKXMUNC-GOSISDBHSA-N
XLogP4.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 30886490
3-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120541330
2-[[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]methyl]-3-phenylpropanoic acid
CID 119233763
4-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]-3-methylbutanoic acid
CID 110447520
3-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119218926
1-acetyl-N-(1-amino-4-methylpentan-2-yl)-2,3-dihydroindole-5-carboxamide
CID 119260893
1-acetyl-N-[1-(3-bromophenyl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 55577789
1-acetyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2,3-dihydroindole-5-carboxamide
CID 51266884
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-2-one
CID 82540699
1-[5-[2-(butylamino)propyl]-2,3-dihydroindol-1-yl]ethanone
CID 82262438
2-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]amino]acetic acid
CID 82100949
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-methylbenzamide
CID 53109968

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(2R)-1-(4-phenylphenyl)propan-2-yl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-acetyl-N-[(2R)-1-(4-phenylphenyl)propan-2-yl]-2,3-dihydroindole-5-carboxamide (CID 51959933) is 1-acetyl-N-[(2R)-1-(4-phenylphenyl)propan-2-yl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(2R)-1-(4-phenylphenyl)propan-2-yl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-[(2R)-1-(4-phenylphenyl)propan-2-yl]-2,3-dihydroindole-5-carboxamide is CC(=O)N1CCc2cc(C(=O)N[C@H](C)Cc3ccc(-c4ccccc4)cc3)ccc21.
What is the InChIKey of 1-acetyl-N-[(2R)-1-(4-phenylphenyl)propan-2-yl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is IJDOTRMIKXMUNC-GOSISDBHSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-18(16-20-8-10-22(11-9-20)21-6-4-3-5-7-21)27-26(30)24-12-13-25-23(17-24)14-15-28(25)19(2)29/h3-13,17-18H,14-16H2,1-2H3,(H,27,30)/t18-/m1/s1.
What are the key properties of 1-acetyl-N-[(2R)-1-(4-phenylphenyl)propan-2-yl]-2,3-dihydroindole-5-carboxamide?
1-acetyl-N-[(2R)-1-(4-phenylphenyl)propan-2-yl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(2R)-1-(4-phenylphenyl)propan-2-yl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 51959933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).