3-[acetyl(butyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide

C19H27N3O2 — CID 113115765

IUPAC3-[acetyl(butyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESCCCCN(CCC(=O)NCCc1c[nH]c2ccccc12)C(C)=O
InChIInChI=1S/C19H27N3O2/c1-3-4-12-22(15(2)23)13-10-19(24)20-11-9-16-14-21-18-8-6-5-7-17(16)18/h5-8,14,21H,3-4,9-13H2,1-2H3,(H,20,24)
InChIKeyPHSCHGBZWQJUJV-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.87
Rot. Bonds9

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

3-[acetyl(butyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide (PubChem CID 113115765) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-[acetyl(butyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(butyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
PubChem CID113115765
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name3-[acetyl(butyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESCCCCN(CCC(=O)NCCc1c[nH]c2ccccc12)C(C)=O
InChIInChI=1S/C19H27N3O2/c1-3-4-12-22(15(2)23)13-10-19(24)20-11-9-16-14-21-18-8-6-5-7-17(16)18/h5-8,14,21H,3-4,9-13H2,1-2H3,(H,20,24)
InChIKeyPHSCHGBZWQJUJV-UHFFFAOYSA-N
XLogP2.87
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113116924
3-[acetyl(prop-2-enyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113115565
(Z)-N-[2-(1H-indol-3-yl)ethyl]heptadec-9-enamide
CID 171117124
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113121754
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113121768
(7Z,10Z,13Z,16Z)-N-[2-(1H-indol-3-yl)ethyl]docosa-7,10,13,16-tetraenamide
CID 171117139
N'-butyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methyloxamide
CID 108528550
3-(N-acetyl-2-methoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113128750
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711
6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 61259839
4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate
CID 7019224

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(butyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of 3-[acetyl(butyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide (CID 113115765) is 3-[acetyl(butyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-[acetyl(butyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-[acetyl(butyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide is CCCCN(CCC(=O)NCCc1c[nH]c2ccccc12)C(C)=O.
What is the InChIKey of 3-[acetyl(butyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The InChIKey is PHSCHGBZWQJUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-3-4-12-22(15(2)23)13-10-19(24)20-11-9-16-14-21-18-8-6-5-7-17(16)18/h5-8,14,21H,3-4,9-13H2,1-2H3,(H,20,24).
What are the key properties of 3-[acetyl(butyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
3-[acetyl(butyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide has a molecular weight of 329.44 g/mol, XLogP of 2.87, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(butyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 113115765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).