2-[3-(1H-indol-3-yl)propanoylamino]-N-methylpropanamide

C15H19N3O2 — CID 47315730

IUPAC2-[3-(1H-indol-3-yl)propanoylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C15H19N3O2/c1-10(15(20)16-2)18-14(19)8-7-11-9-17-13-6-4-3-5-12(11)13/h3-6,9-10,17H,7-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyPDZPZRRLMNMWJP-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.35
Rot. Bonds5

About 2-[3-(1H-indol-3-yl)propanoylamino]-N-methylpropanamide

2-[3-(1H-indol-3-yl)propanoylamino]-N-methylpropanamide (PubChem CID 47315730) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[3-(1H-indol-3-yl)propanoylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[3-(1H-indol-3-yl)propanoylamino]-N-methylpropanamide
PubChem CID47315730
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[3-(1H-indol-3-yl)propanoylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C15H19N3O2/c1-10(15(20)16-2)18-14(19)8-7-11-9-17-13-6-4-3-5-12(11)13/h3-6,9-10,17H,7-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyPDZPZRRLMNMWJP-UHFFFAOYSA-N
XLogP1.35
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[3-(1H-indol-3-yl)propanoylamino]-N-propylpropanamide
CID 27860985
(2R)-N-[(2R)-butan-2-yl]-2-[3-(1H-indol-3-yl)propanoylamino]propanamide
CID 52781483
3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 582677
(2S)-2-[4-(1H-indol-3-yl)butanoylamino]-N,4-dimethylpentanamide
CID 52632899
(2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid
CID 644229
2-(1H-indol-3-ylmethylamino)-N-methylpropanamide
CID 61057745
3-(1H-indol-3-yl)-N-(1-methoxypropan-2-yl)propanamide
CID 18074487
3-(1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide
CID 97086843
methyl 2-[4-(1H-indol-3-yl)butanoylamino]propanoate
CID 60638102
N-[(1R)-1-(furan-2-yl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 41273168
N-(4-ethylsulfanylbutan-2-yl)-3-(1H-indol-3-yl)propanamide
CID 115662191
3-(1H-indol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 41291005

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-indol-3-yl)propanoylamino]-N-methylpropanamide?
The IUPAC name of 2-[3-(1H-indol-3-yl)propanoylamino]-N-methylpropanamide (CID 47315730) is 2-[3-(1H-indol-3-yl)propanoylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[3-(1H-indol-3-yl)propanoylamino]-N-methylpropanamide?
The canonical SMILES for 2-[3-(1H-indol-3-yl)propanoylamino]-N-methylpropanamide is CNC(=O)C(C)NC(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of 2-[3-(1H-indol-3-yl)propanoylamino]-N-methylpropanamide?
The InChIKey is PDZPZRRLMNMWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(15(20)16-2)18-14(19)8-7-11-9-17-13-6-4-3-5-12(11)13/h3-6,9-10,17H,7-8H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[3-(1H-indol-3-yl)propanoylamino]-N-methylpropanamide?
2-[3-(1H-indol-3-yl)propanoylamino]-N-methylpropanamide has a molecular weight of 273.34 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-indol-3-yl)propanoylamino]-N-methylpropanamide is sourced from PubChem (CID 47315730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).