3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-benzyl-N-ethylpropanamide

C24H29N3O2 — CID 113121765

IUPAC3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-benzyl-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)CCN(CCc1c[nH]c2ccccc12)C(C)=O
InChIInChI=1S/C24H29N3O2/c1-3-26(18-20-9-5-4-6-10-20)24(29)14-16-27(19(2)28)15-13-21-17-25-23-12-8-7-11-22(21)23/h4-12,17,25H,3,13-16,18H2,1-2H3
InChIKeyFIFRMLPXWCONRD-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.00
Rot. Bonds9

About 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-benzyl-N-ethylpropanamide

3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-benzyl-N-ethylpropanamide (PubChem CID 113121765) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-benzyl-N-ethylpropanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-benzyl-N-ethylpropanamide
PubChem CID113121765
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-benzyl-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)CCN(CCc1c[nH]c2ccccc12)C(C)=O
InChIInChI=1S/C24H29N3O2/c1-3-26(18-20-9-5-4-6-10-20)24(29)14-16-27(19(2)28)15-13-21-17-25-23-12-8-7-11-22(21)23/h4-12,17,25H,3,13-16,18H2,1-2H3
InChIKeyFIFRMLPXWCONRD-UHFFFAOYSA-N
XLogP4.00
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-[2-(1H-indol-3-yl)ethyl]pentanamide
CID 42695889
2-[acetyl(propyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 4245533
2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 42772039
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-butyl-3-phenylpropanamide
CID 4114319
3-[acetyl(benzyl)amino]-N,N-diethylpropanamide
CID 113118249
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 4998732
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-butylpropanamide
CID 5096553
3-[acetyl(2-phenylethyl)amino]-N,N-diethylpropanamide
CID 113120794
2-[benzenesulfonyl(propyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 3278699
methyl 5-[ethyl-[2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoate
CID 23336475
N-but-3-enyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 11448238
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113121768

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-benzyl-N-ethylpropanamide?
The IUPAC name of 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-benzyl-N-ethylpropanamide (CID 113121765) is 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-benzyl-N-ethylpropanamide.
What is the SMILES notation for 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-benzyl-N-ethylpropanamide?
The canonical SMILES for 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-benzyl-N-ethylpropanamide is CCN(Cc1ccccc1)C(=O)CCN(CCc1c[nH]c2ccccc12)C(C)=O.
What is the InChIKey of 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-benzyl-N-ethylpropanamide?
The InChIKey is FIFRMLPXWCONRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-3-26(18-20-9-5-4-6-10-20)24(29)14-16-27(19(2)28)15-13-21-17-25-23-12-8-7-11-22(21)23/h4-12,17,25H,3,13-16,18H2,1-2H3.
What are the key properties of 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-benzyl-N-ethylpropanamide?
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-benzyl-N-ethylpropanamide has a molecular weight of 391.52 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-benzyl-N-ethylpropanamide is sourced from PubChem (CID 113121765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).