3,4,5-trimethoxy-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide

C23H26N2O4 — CID 113084931

IUPAC3,4,5-trimethoxy-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide
SMILESCOc1cc(C(=O)NCC2(c3cn(C)c4ccccc34)CC2)cc(OC)c1OC
InChIInChI=1S/C23H26N2O4/c1-25-13-17(16-7-5-6-8-18(16)25)23(9-10-23)14-24-22(26)15-11-19(27-2)21(29-4)20(12-15)28-3/h5-8,11-13H,9-10,14H2,1-4H3,(H,24,26)
InChIKeyFPBLGULZSMMOHQ-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.67
Rot. Bonds7

About 3,4,5-trimethoxy-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide

3,4,5-trimethoxy-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide (PubChem CID 113084931) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide
PubChem CID113084931
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name3,4,5-trimethoxy-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide
SMILESCOc1cc(C(=O)NCC2(c3cn(C)c4ccccc34)CC2)cc(OC)c1OC
InChIInChI=1S/C23H26N2O4/c1-25-13-17(16-7-5-6-8-18(16)25)23(9-10-23)14-24-22(26)15-11-19(27-2)21(29-4)20(12-15)28-3/h5-8,11-13H,9-10,14H2,1-4H3,(H,24,26)
InChIKeyFPBLGULZSMMOHQ-UHFFFAOYSA-N
XLogP3.67
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide
CID 113084942
3,4,5-trimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449244
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 90535108
N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide
CID 113084958
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4,5-trimethoxybenzamide
CID 42265991
3,4,5-trimethoxy-N-[2-[(2E)-2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 171980592
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2-(1-methylindol-3-yl)acetamide
CID 51055341
N-[(1-hydroxycyclobutyl)methyl]-3,4,5-trimethoxybenzamide
CID 115643433
1-(2,6-dichlorophenyl)-3-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea
CID 3072916
N-[(Z)-3-(2-hydroxyethylamino)-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide
CID 46262195
3,4,5-trimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 60568762
N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide
CID 39915609

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide (CID 113084931) is 3,4,5-trimethoxy-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide is COc1cc(C(=O)NCC2(c3cn(C)c4ccccc34)CC2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide?
The InChIKey is FPBLGULZSMMOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-25-13-17(16-7-5-6-8-18(16)25)23(9-10-23)14-24-22(26)15-11-19(27-2)21(29-4)20(12-15)28-3/h5-8,11-13H,9-10,14H2,1-4H3,(H,24,26).
What are the key properties of 3,4,5-trimethoxy-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide?
3,4,5-trimethoxy-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide has a molecular weight of 394.47 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide is sourced from PubChem (CID 113084931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).