5,6,7-trimethoxy-N-[1-(4-phenylphenyl)ethyl]-1H-indole-2-carboxamide

C26H26N2O4 — CID 43074909

IUPAC5,6,7-trimethoxy-N-[1-(4-phenylphenyl)ethyl]-1H-indole-2-carboxamide
SMILESCOc1cc2cc(C(=O)NC(C)c3ccc(-c4ccccc4)cc3)[nH]c2c(OC)c1OC
InChIInChI=1S/C26H26N2O4/c1-16(17-10-12-19(13-11-17)18-8-6-5-7-9-18)27-26(29)21-14-20-15-22(30-2)24(31-3)25(32-4)23(20)28-21/h5-16,28H,1-4H3,(H,27,29)
InChIKeyKMIYFFLLAXHNBI-UHFFFAOYSA-N
MW430.50 g/mol
LogP5.35
Rot. Bonds7

About 5,6,7-trimethoxy-N-[1-(4-phenylphenyl)ethyl]-1H-indole-2-carboxamide

5,6,7-trimethoxy-N-[1-(4-phenylphenyl)ethyl]-1H-indole-2-carboxamide (PubChem CID 43074909) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is 5,6,7-trimethoxy-N-[1-(4-phenylphenyl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5,6,7-trimethoxy-N-[1-(4-phenylphenyl)ethyl]-1H-indole-2-carboxamide
PubChem CID43074909
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name5,6,7-trimethoxy-N-[1-(4-phenylphenyl)ethyl]-1H-indole-2-carboxamide
SMILESCOc1cc2cc(C(=O)NC(C)c3ccc(-c4ccccc4)cc3)[nH]c2c(OC)c1OC
InChIInChI=1S/C26H26N2O4/c1-16(17-10-12-19(13-11-17)18-8-6-5-7-9-18)27-26(29)21-14-20-15-22(30-2)24(31-3)25(32-4)23(20)28-21/h5-16,28H,1-4H3,(H,27,29)
InChIKeyKMIYFFLLAXHNBI-UHFFFAOYSA-N
XLogP5.35
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.50
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,6,7-trimethoxy-N-(1-naphthalen-1-ylethyl)-1H-indole-2-carboxamide
CID 77386847
N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]-5,6,7-trimethoxy-1H-indole-2-carboxamide
CID 42580675
5,6,7-trimethoxy-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide
CID 29129962
5-chloro-7-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide
CID 118425259
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide
CID 977346
N-(4-tert-butylphenyl)-5,6,7-trimethoxy-1H-indole-2-carboxamide
CID 47027000
3,5-dimethoxy-N-[(1R)-1-(4-phenylphenyl)ethyl]benzamide
CID 7948871
4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]-1H-pyridine-2-carboxylic acid
CID 59356747
N-[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-5,6,7-trimethoxy-1H-indole-2-carboxamide
CID 45370022
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 55671575
3-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]naphthalene-2-carboxamide
CID 28633409
5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7322417

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethoxy-N-[1-(4-phenylphenyl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5,6,7-trimethoxy-N-[1-(4-phenylphenyl)ethyl]-1H-indole-2-carboxamide (CID 43074909) is 5,6,7-trimethoxy-N-[1-(4-phenylphenyl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5,6,7-trimethoxy-N-[1-(4-phenylphenyl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5,6,7-trimethoxy-N-[1-(4-phenylphenyl)ethyl]-1H-indole-2-carboxamide is COc1cc2cc(C(=O)NC(C)c3ccc(-c4ccccc4)cc3)[nH]c2c(OC)c1OC.
What is the InChIKey of 5,6,7-trimethoxy-N-[1-(4-phenylphenyl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is KMIYFFLLAXHNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-16(17-10-12-19(13-11-17)18-8-6-5-7-9-18)27-26(29)21-14-20-15-22(30-2)24(31-3)25(32-4)23(20)28-21/h5-16,28H,1-4H3,(H,27,29).
What are the key properties of 5,6,7-trimethoxy-N-[1-(4-phenylphenyl)ethyl]-1H-indole-2-carboxamide?
5,6,7-trimethoxy-N-[1-(4-phenylphenyl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 430.50 g/mol, XLogP of 5.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethoxy-N-[1-(4-phenylphenyl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 43074909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).