1-(5-methoxy-1H-indol-3-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide

C25H22N2O3 — CID 113210870

IUPAC1-(5-methoxy-1H-indol-3-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc2[nH]cc(C3(C(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)c2c1
InChIInChI=1S/C25H22N2O3/c1-29-20-11-12-23-21(15-20)22(16-26-23)25(13-14-25)24(28)27-17-7-9-19(10-8-17)30-18-5-3-2-4-6-18/h2-12,15-16,26H,13-14H2,1H3,(H,27,28)
InChIKeyKQCLZMCWDIWLFX-UHFFFAOYSA-N
MW398.46 g/mol
LogP5.64
Rot. Bonds6

About 1-(5-methoxy-1H-indol-3-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide

1-(5-methoxy-1H-indol-3-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 113210870) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is 1-(5-methoxy-1H-indol-3-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(5-methoxy-1H-indol-3-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide
PubChem CID113210870
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name1-(5-methoxy-1H-indol-3-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc2[nH]cc(C3(C(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)c2c1
InChIInChI=1S/C25H22N2O3/c1-29-20-11-12-23-21(15-20)22(16-26-23)25(13-14-25)24(28)27-17-7-9-19(10-8-17)30-18-5-3-2-4-6-18/h2-12,15-16,26H,13-14H2,1H3,(H,27,28)
InChIKeyKQCLZMCWDIWLFX-UHFFFAOYSA-N
XLogP5.64
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.46
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[1-(5-methoxy-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate
CID 113210863
1-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113211000
N-(2,5-dimethoxyphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210851
1-(5-methoxy-1H-indol-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 113210901
N-(4-bromo-2-methylphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210875
N-(2-bromo-4-methylphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210874
N-[2-(1H-indol-3-yl)ethyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210779
1-(5-chloro-1H-indol-3-yl)-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 113211006
1-(5-methoxy-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 113210764
N-ethyl-1-(5-methoxy-1H-indol-3-yl)-N-phenylcyclopropane-1-carboxamide
CID 113210822
N-[3-(dimethylamino)propyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210743
N-[4-(diethylamino)-2-methylphenyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210892

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1H-indol-3-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(5-methoxy-1H-indol-3-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide (CID 113210870) is 1-(5-methoxy-1H-indol-3-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(5-methoxy-1H-indol-3-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(5-methoxy-1H-indol-3-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide is COc1ccc2[nH]cc(C3(C(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)c2c1.
What is the InChIKey of 1-(5-methoxy-1H-indol-3-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is KQCLZMCWDIWLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-29-20-11-12-23-21(15-20)22(16-26-23)25(13-14-25)24(28)27-17-7-9-19(10-8-17)30-18-5-3-2-4-6-18/h2-12,15-16,26H,13-14H2,1H3,(H,27,28).
What are the key properties of 1-(5-methoxy-1H-indol-3-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide?
1-(5-methoxy-1H-indol-3-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 5.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1H-indol-3-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113210870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).