N-[2-(1-phenylpropan-2-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide

C25H23N3O2 — CID 44592009

IUPACN-[2-(1-phenylpropan-2-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide
SMILESCC(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C25H23N3O2/c1-17(15-18-9-3-2-4-10-18)26-24(29)20-12-6-8-14-22(20)28-25(30)23-16-19-11-5-7-13-21(19)27-23/h2-14,16-17,27H,15H2,1H3,(H,26,29)(H,28,30)
InChIKeyBPAGTWOGXJYUAR-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.78
Rot. Bonds6

About N-[2-(1-phenylpropan-2-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide

N-[2-(1-phenylpropan-2-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide (PubChem CID 44592009) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[2-(1-phenylpropan-2-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-phenylpropan-2-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide
PubChem CID44592009
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-[2-(1-phenylpropan-2-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide
SMILESCC(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C25H23N3O2/c1-17(15-18-9-3-2-4-10-18)26-24(29)20-12-6-8-14-22(20)28-25(30)23-16-19-11-5-7-13-21(19)27-23/h2-14,16-17,27H,15H2,1H3,(H,26,29)(H,28,30)
InChIKeyBPAGTWOGXJYUAR-UHFFFAOYSA-N
XLogP4.78
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-3-phenylpropanoate
CID 44591981
ethyl 2-[[2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]benzoyl]amino]-3-phenylpropanoate
CID 101132825
2-benzamido-N-[(2S)-1-phenylpropan-2-yl]benzamide
CID 51412226
2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-3-methylbutanoic acid
CID 44592485
2-[[2-[(5-methyl-1H-indole-2-carbonyl)amino]benzoyl]amino]-3-phenylpropanoic acid
CID 45482486
ethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-3-(4-methoxyphenyl)propanoate
CID 11431698
N-(4-hydroxybutan-2-yl)-1H-indole-2-carboxamide
CID 81042932
2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-3-(2-nitrophenyl)propanoic acid
CID 11305968
N-[2-(2-phenylethoxy)phenyl]-1H-indole-2-carboxamide
CID 55675130
2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-(1H-indol-2-yl)propanoic acid
CID 4527842
N-(2-hydroxy-3-phenylpropyl)-1H-indole-2-carboxamide
CID 71921555
N-(1-phenylpropan-2-yl)-1H-indole-4-carboxamide
CID 63010445

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-phenylpropan-2-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(1-phenylpropan-2-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide (CID 44592009) is N-[2-(1-phenylpropan-2-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(1-phenylpropan-2-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(1-phenylpropan-2-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide is CC(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1-phenylpropan-2-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide?
The InChIKey is BPAGTWOGXJYUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-17(15-18-9-3-2-4-10-18)26-24(29)20-12-6-8-14-22(20)28-25(30)23-16-19-11-5-7-13-21(19)27-23/h2-14,16-17,27H,15H2,1H3,(H,26,29)(H,28,30).
What are the key properties of N-[2-(1-phenylpropan-2-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide?
N-[2-(1-phenylpropan-2-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.78, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-phenylpropan-2-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 44592009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).