3-[2-[3-(2,3-dihydroindol-1-yl)propylamino]-2-oxoethyl]sulfanyl-N-propan-2-ylpropanamide

C19H29N3O2S — CID 70862961

IUPAC3-[2-[3-(2,3-dihydroindol-1-yl)propylamino]-2-oxoethyl]sulfanyl-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCSCC(=O)NCCCN1CCc2ccccc21
InChIInChI=1S/C19H29N3O2S/c1-15(2)21-18(23)9-13-25-14-19(24)20-10-5-11-22-12-8-16-6-3-4-7-17(16)22/h3-4,6-7,15H,5,8-14H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyVJOYFFKGLCCFDM-UHFFFAOYSA-N
MW363.53 g/mol
LogP2.20
Rot. Bonds10

About 3-[2-[3-(2,3-dihydroindol-1-yl)propylamino]-2-oxoethyl]sulfanyl-N-propan-2-ylpropanamide

3-[2-[3-(2,3-dihydroindol-1-yl)propylamino]-2-oxoethyl]sulfanyl-N-propan-2-ylpropanamide (PubChem CID 70862961) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is 3-[2-[3-(2,3-dihydroindol-1-yl)propylamino]-2-oxoethyl]sulfanyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[2-[3-(2,3-dihydroindol-1-yl)propylamino]-2-oxoethyl]sulfanyl-N-propan-2-ylpropanamide
PubChem CID70862961
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC Name3-[2-[3-(2,3-dihydroindol-1-yl)propylamino]-2-oxoethyl]sulfanyl-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCSCC(=O)NCCCN1CCc2ccccc21
InChIInChI=1S/C19H29N3O2S/c1-15(2)21-18(23)9-13-25-14-19(24)20-10-5-11-22-12-8-16-6-3-4-7-17(16)22/h3-4,6-7,15H,5,8-14H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyVJOYFFKGLCCFDM-UHFFFAOYSA-N
XLogP2.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride
CID 119851222
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113
3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid
CID 62230278
N-butan-2-yl-3-(2,3-dihydroindol-1-yl)propanamide
CID 109012970
N-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide
CID 61251337
N-[3-(2,3-dihydroindol-1-yl)propyl]-3-piperidin-3-ylbutanamide
CID 119851195
(2R)-2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-4-methylsulfanylbutanamide
CID 104908137
N-[3-(2,3-dihydroindol-1-yl)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119851194
N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxyphenyl)sulfanylacetamide
CID 28635305
2-(4-bromophenyl)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
CID 36717956
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide
CID 61264292
(2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 30387653

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(2,3-dihydroindol-1-yl)propylamino]-2-oxoethyl]sulfanyl-N-propan-2-ylpropanamide?
The IUPAC name of 3-[2-[3-(2,3-dihydroindol-1-yl)propylamino]-2-oxoethyl]sulfanyl-N-propan-2-ylpropanamide (CID 70862961) is 3-[2-[3-(2,3-dihydroindol-1-yl)propylamino]-2-oxoethyl]sulfanyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[2-[3-(2,3-dihydroindol-1-yl)propylamino]-2-oxoethyl]sulfanyl-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[2-[3-(2,3-dihydroindol-1-yl)propylamino]-2-oxoethyl]sulfanyl-N-propan-2-ylpropanamide is CC(C)NC(=O)CCSCC(=O)NCCCN1CCc2ccccc21.
What is the InChIKey of 3-[2-[3-(2,3-dihydroindol-1-yl)propylamino]-2-oxoethyl]sulfanyl-N-propan-2-ylpropanamide?
The InChIKey is VJOYFFKGLCCFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-15(2)21-18(23)9-13-25-14-19(24)20-10-5-11-22-12-8-16-6-3-4-7-17(16)22/h3-4,6-7,15H,5,8-14H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of 3-[2-[3-(2,3-dihydroindol-1-yl)propylamino]-2-oxoethyl]sulfanyl-N-propan-2-ylpropanamide?
3-[2-[3-(2,3-dihydroindol-1-yl)propylamino]-2-oxoethyl]sulfanyl-N-propan-2-ylpropanamide has a molecular weight of 363.53 g/mol, XLogP of 2.20, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(2,3-dihydroindol-1-yl)propylamino]-2-oxoethyl]sulfanyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 70862961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).