N-[4-(1-ethylindol-3-yl)butan-2-yl]-3,4,5-trimethoxybenzamide

C24H30N2O4 — CID 5165253

IUPACN-[4-(1-ethylindol-3-yl)butan-2-yl]-3,4,5-trimethoxybenzamide
SMILESCCn1cc(CCC(C)NC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21
InChIInChI=1S/C24H30N2O4/c1-6-26-15-17(19-9-7-8-10-20(19)26)12-11-16(2)25-24(27)18-13-21(28-3)23(30-5)22(14-18)29-4/h7-10,13-16H,6,11-12H2,1-5H3,(H,25,27)
InChIKeyVYCMVUWLKHYUPU-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.44
Rot. Bonds9

About N-[4-(1-ethylindol-3-yl)butan-2-yl]-3,4,5-trimethoxybenzamide

N-[4-(1-ethylindol-3-yl)butan-2-yl]-3,4,5-trimethoxybenzamide (PubChem CID 5165253) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is N-[4-(1-ethylindol-3-yl)butan-2-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(1-ethylindol-3-yl)butan-2-yl]-3,4,5-trimethoxybenzamide
PubChem CID5165253
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC NameN-[4-(1-ethylindol-3-yl)butan-2-yl]-3,4,5-trimethoxybenzamide
SMILESCCn1cc(CCC(C)NC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21
InChIInChI=1S/C24H30N2O4/c1-6-26-15-17(19-9-7-8-10-20(19)26)12-11-16(2)25-24(27)18-13-21(28-3)23(30-5)22(14-18)29-4/h7-10,13-16H,6,11-12H2,1-5H3,(H,25,27)
InChIKeyVYCMVUWLKHYUPU-UHFFFAOYSA-N
XLogP4.44
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-4-(1-ethylindol-3-yl)butan-2-yl]-4-fluorobenzamide
CID 2717035
3,4,5-trimethoxy-N-[(2R)-1-phenylpropan-2-yl]benzamide
CID 888468
N-(4-bromobutan-2-yl)-3,4,5-trimethoxybenzamide
CID 83178838
N-[(2,3-dimethoxyphenyl)methyl]-3-(1-ethylindol-3-yl)propanamide
CID 20899802
[3-[4-(1-ethylindol-3-yl)-2-methylbutanoyl]oxy-2-hydroxypropyl] 4-(1-ethylindol-3-yl)-2-methylbutanoate
CID 172522188
N-butan-2-yl-4-(1-ethylindol-3-yl)butanamide
CID 22522937
N-[(Z)-3-(azepan-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide
CID 46262181
N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 42427639
N-(1-cyanopropan-2-yl)-3,4,5-trimethoxybenzamide
CID 62090267
N-[3-[2-(diethylamino)ethylamino]-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide
CID 3562693
(2R)-2-[[2-(1-ethylindol-3-yl)acetyl]amino]propanoic acid
CID 119244285
2-phenyl-N-[4-(3,4,5-trimethoxyphenyl)butan-2-yl]acetamide
CID 23739276

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-ethylindol-3-yl)butan-2-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[4-(1-ethylindol-3-yl)butan-2-yl]-3,4,5-trimethoxybenzamide (CID 5165253) is N-[4-(1-ethylindol-3-yl)butan-2-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[4-(1-ethylindol-3-yl)butan-2-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[4-(1-ethylindol-3-yl)butan-2-yl]-3,4,5-trimethoxybenzamide is CCn1cc(CCC(C)NC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21.
What is the InChIKey of N-[4-(1-ethylindol-3-yl)butan-2-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is VYCMVUWLKHYUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-6-26-15-17(19-9-7-8-10-20(19)26)12-11-16(2)25-24(27)18-13-21(28-3)23(30-5)22(14-18)29-4/h7-10,13-16H,6,11-12H2,1-5H3,(H,25,27).
What are the key properties of N-[4-(1-ethylindol-3-yl)butan-2-yl]-3,4,5-trimethoxybenzamide?
N-[4-(1-ethylindol-3-yl)butan-2-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 410.51 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-ethylindol-3-yl)butan-2-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 5165253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).