(4-ethyl-2-methylindol-1-yl)-[4-(3-phenylpropyl)phenyl]methanone

C27H27NO — CID 142084471

IUPAC(4-ethyl-2-methylindol-1-yl)-[4-(3-phenylpropyl)phenyl]methanone
SMILESCCc1cccc2c1cc(C)n2C(=O)c1ccc(CCCc2ccccc2)cc1
InChIInChI=1S/C27H27NO/c1-3-23-13-8-14-26-25(23)19-20(2)28(26)27(29)24-17-15-22(16-18-24)12-7-11-21-9-5-4-6-10-21/h4-6,8-10,13-19H,3,7,11-12H2,1-2H3
InChIKeyGRRHSLWIYRCYRH-UHFFFAOYSA-N
MW381.52 g/mol
LogP6.38
Rot. Bonds6

About (4-ethyl-2-methylindol-1-yl)-[4-(3-phenylpropyl)phenyl]methanone

(4-ethyl-2-methylindol-1-yl)-[4-(3-phenylpropyl)phenyl]methanone (PubChem CID 142084471) has the molecular formula C27H27NO and a molecular weight of 381.52 g/mol. Its IUPAC name is (4-ethyl-2-methylindol-1-yl)-[4-(3-phenylpropyl)phenyl]methanone.

Molecular Properties

Compound Name(4-ethyl-2-methylindol-1-yl)-[4-(3-phenylpropyl)phenyl]methanone
PubChem CID142084471
Molecular FormulaC27H27NO
Molecular Weight381.52 g/mol
Exact Mass381.21
IUPAC Name(4-ethyl-2-methylindol-1-yl)-[4-(3-phenylpropyl)phenyl]methanone
SMILESCCc1cccc2c1cc(C)n2C(=O)c1ccc(CCCc2ccccc2)cc1
InChIInChI=1S/C27H27NO/c1-3-23-13-8-14-26-25(23)19-20(2)28(26)27(29)24-17-15-22(16-18-24)12-7-11-21-9-5-4-6-10-21/h4-6,8-10,13-19H,3,7,11-12H2,1-2H3
InChIKeyGRRHSLWIYRCYRH-UHFFFAOYSA-N
XLogP6.38
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethyl-2-methylindol-1-yl)-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanone
CID 142084550
(4-ethyl-2-methylindol-1-yl)-[4-(2-pyridin-3-ylethoxy)phenyl]methanone
CID 142084528
2-[1-[4-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methoxy]benzoyl]-2-methylindol-4-yl]acetic acid
CID 10297072
[4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methoxy]phenyl]-[4-(2-hydroxyethyl)-2-methylindol-1-yl]methanone
CID 10113326
2-[3-(4-ethylphenyl)propyl]benzoic acid
CID 54190644
1-(4-ethylbenzoyl)-2-oxoquinoline-3-carboxylic acid
CID 142731690
N,N-diethyl-4-(3-phenylpropyl)benzamide
CID 102226026
4-ethyl-1-(2-phenylethyl)indole
CID 143158245
2-[1-[4-[(5-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)methoxy]benzoyl]-2-methylindol-4-yl]acetic acid
CID 22939064
1-(4-ethylbenzoyl)-2-methylindole-3-carbohydrazide
CID 91690237
3-(1-benzoyl-2-ethenylindol-4-yl)propanoic acid
CID 163433435
2-(2,5-dimethylpyrrol-1-yl)-4-(3-phenylpropyl)benzoic acid
CID 161230600

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-methylindol-1-yl)-[4-(3-phenylpropyl)phenyl]methanone?
The IUPAC name of (4-ethyl-2-methylindol-1-yl)-[4-(3-phenylpropyl)phenyl]methanone (CID 142084471) is (4-ethyl-2-methylindol-1-yl)-[4-(3-phenylpropyl)phenyl]methanone.
What is the SMILES notation for (4-ethyl-2-methylindol-1-yl)-[4-(3-phenylpropyl)phenyl]methanone?
The canonical SMILES for (4-ethyl-2-methylindol-1-yl)-[4-(3-phenylpropyl)phenyl]methanone is CCc1cccc2c1cc(C)n2C(=O)c1ccc(CCCc2ccccc2)cc1.
What is the InChIKey of (4-ethyl-2-methylindol-1-yl)-[4-(3-phenylpropyl)phenyl]methanone?
The InChIKey is GRRHSLWIYRCYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO/c1-3-23-13-8-14-26-25(23)19-20(2)28(26)27(29)24-17-15-22(16-18-24)12-7-11-21-9-5-4-6-10-21/h4-6,8-10,13-19H,3,7,11-12H2,1-2H3.
What are the key properties of (4-ethyl-2-methylindol-1-yl)-[4-(3-phenylpropyl)phenyl]methanone?
(4-ethyl-2-methylindol-1-yl)-[4-(3-phenylpropyl)phenyl]methanone has a molecular weight of 381.52 g/mol, XLogP of 6.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-methylindol-1-yl)-[4-(3-phenylpropyl)phenyl]methanone is sourced from PubChem (CID 142084471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).