N-cyclohexyl-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide

C31H34N2O2 — CID 42801294

IUPACN-cyclohexyl-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide
SMILESCCn1cc(C(CC(=O)NC2CCCCC2)c2cccc(Oc3ccccc3)c2)c2ccccc21
InChIInChI=1S/C31H34N2O2/c1-2-33-22-29(27-18-9-10-19-30(27)33)28(21-31(34)32-24-13-5-3-6-14-24)23-12-11-17-26(20-23)35-25-15-7-4-8-16-25/h4,7-12,15-20,22,24,28H,2-3,5-6,13-14,21H2,1H3,(H,32,34)
InChIKeyKFTVFTNXXHOAGC-UHFFFAOYSA-N
MW466.63 g/mol
LogP7.42
Rot. Bonds8

About N-cyclohexyl-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide

N-cyclohexyl-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide (PubChem CID 42801294) has the molecular formula C31H34N2O2 and a molecular weight of 466.63 g/mol. Its IUPAC name is N-cyclohexyl-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide
PubChem CID42801294
Molecular FormulaC31H34N2O2
Molecular Weight466.63 g/mol
Exact Mass466.26
IUPAC NameN-cyclohexyl-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide
SMILESCCn1cc(C(CC(=O)NC2CCCCC2)c2cccc(Oc3ccccc3)c2)c2ccccc21
InChIInChI=1S/C31H34N2O2/c1-2-33-22-29(27-18-9-10-19-30(27)33)28(21-31(34)32-24-13-5-3-6-14-24)23-12-11-17-26(20-23)35-25-15-7-4-8-16-25/h4,7-12,15-20,22,24,28H,2-3,5-6,13-14,21H2,1H3,(H,32,34)
InChIKeyKFTVFTNXXHOAGC-UHFFFAOYSA-N
XLogP7.42
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[2-(dimethylamino)ethyl]-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide
CID 93119955
3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide
CID 142579389
N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide
CID 166691579
N-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methoxyindol-3-yl]-3-(3-methylphenyl)propanamide
CID 142579601
3-[1-(cyclohexylmethyl)indol-3-yl]-N-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-3-(3-methylphenyl)propanamide
CID 142579603
4-[[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propanoyl]amino]-N-hydroxycyclohexane-1-carboxamide;hydrochloride
CID 166691488
(3S)-3-(carbamoylamino)-N-cyclopentyl-3-(3-phenoxyphenyl)propanamide
CID 9215141
(3S)-3-(1-benzylindol-3-yl)-3-(3-phenoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 98443792
3-(1-benzylindol-3-yl)-3-(3-phenoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 42774245
(3R)-3-(1,7-diethylindol-3-yl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(3-phenoxyphenyl)propanamide
CID 129428058
N-cyclopropyl-3-(1-methylindol-3-yl)-3-phenylpropanamide
CID 42774766
(3R)-3-(1-benzylindol-3-yl)-3-(3-phenoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 93052046

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide?
The IUPAC name of N-cyclohexyl-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide (CID 42801294) is N-cyclohexyl-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide.
What is the SMILES notation for N-cyclohexyl-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide?
The canonical SMILES for N-cyclohexyl-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide is CCn1cc(C(CC(=O)NC2CCCCC2)c2cccc(Oc3ccccc3)c2)c2ccccc21.
What is the InChIKey of N-cyclohexyl-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide?
The InChIKey is KFTVFTNXXHOAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O2/c1-2-33-22-29(27-18-9-10-19-30(27)33)28(21-31(34)32-24-13-5-3-6-14-24)23-12-11-17-26(20-23)35-25-15-7-4-8-16-25/h4,7-12,15-20,22,24,28H,2-3,5-6,13-14,21H2,1H3,(H,32,34).
What are the key properties of N-cyclohexyl-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide?
N-cyclohexyl-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide has a molecular weight of 466.63 g/mol, XLogP of 7.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide is sourced from PubChem (CID 42801294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).