5-phenoxy-N-(4-phenylbutan-2-yl)-1H-indole-2-carboxamide

C25H24N2O2 — CID 3921208

IUPAC5-phenoxy-N-(4-phenylbutan-2-yl)-1H-indole-2-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1cc2cc(Oc3ccccc3)ccc2[nH]1
InChIInChI=1S/C25H24N2O2/c1-18(12-13-19-8-4-2-5-9-19)26-25(28)24-17-20-16-22(14-15-23(20)27-24)29-21-10-6-3-7-11-21/h2-11,14-18,27H,12-13H2,1H3,(H,26,28)
InChIKeyYFKWBUPZOWWOQQ-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.71
Rot. Bonds7

About 5-phenoxy-N-(4-phenylbutan-2-yl)-1H-indole-2-carboxamide

5-phenoxy-N-(4-phenylbutan-2-yl)-1H-indole-2-carboxamide (PubChem CID 3921208) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 5-phenoxy-N-(4-phenylbutan-2-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-phenoxy-N-(4-phenylbutan-2-yl)-1H-indole-2-carboxamide
PubChem CID3921208
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name5-phenoxy-N-(4-phenylbutan-2-yl)-1H-indole-2-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1cc2cc(Oc3ccccc3)ccc2[nH]1
InChIInChI=1S/C25H24N2O2/c1-18(12-13-19-8-4-2-5-9-19)26-25(28)24-17-20-16-22(14-15-23(20)27-24)29-21-10-6-3-7-11-21/h2-11,14-18,27H,12-13H2,1H3,(H,26,28)
InChIKeyYFKWBUPZOWWOQQ-UHFFFAOYSA-N
XLogP5.71
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-N-[(2S)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 7322431
5-fluoro-N-[(2R)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 39982788
5-methoxy-N-[(2S)-1-methoxypropan-2-yl]-1H-indole-2-carboxamide
CID 6926471
N-(1-phenylethyl)-5-propan-2-yloxy-1H-indole-2-carboxamide
CID 123445942
5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847836
3-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)-1H-pyrazole-5-carboxamide
CID 20918247
methyl (2R)-4-methyl-2-[[5-(3-methylphenoxy)-1H-indole-2-carbonyl]amino]pentanoate
CID 7325225
N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-4-phenoxybenzamide
CID 25483291
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
N-(4-hydroxybutan-2-yl)-1H-indole-2-carboxamide
CID 81042932
(2S)-2-[(5-methoxy-1H-indole-2-carbonyl)amino]propanoic acid
CID 110834885
N-[4-[2-(ethylamino)ethyl]phenyl]-5-phenylmethoxy-1H-indole-2-carboxamide
CID 71190441

Frequently Asked Questions

What is the IUPAC name of 5-phenoxy-N-(4-phenylbutan-2-yl)-1H-indole-2-carboxamide?
The IUPAC name of 5-phenoxy-N-(4-phenylbutan-2-yl)-1H-indole-2-carboxamide (CID 3921208) is 5-phenoxy-N-(4-phenylbutan-2-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-phenoxy-N-(4-phenylbutan-2-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-phenoxy-N-(4-phenylbutan-2-yl)-1H-indole-2-carboxamide is CC(CCc1ccccc1)NC(=O)c1cc2cc(Oc3ccccc3)ccc2[nH]1.
What is the InChIKey of 5-phenoxy-N-(4-phenylbutan-2-yl)-1H-indole-2-carboxamide?
The InChIKey is YFKWBUPZOWWOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-18(12-13-19-8-4-2-5-9-19)26-25(28)24-17-20-16-22(14-15-23(20)27-24)29-21-10-6-3-7-11-21/h2-11,14-18,27H,12-13H2,1H3,(H,26,28).
What are the key properties of 5-phenoxy-N-(4-phenylbutan-2-yl)-1H-indole-2-carboxamide?
5-phenoxy-N-(4-phenylbutan-2-yl)-1H-indole-2-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 5.71, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenoxy-N-(4-phenylbutan-2-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 3921208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).