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

C17H23N3O2 — CID 27860985

IUPAC(2S)-2-[3-(1H-indol-3-yl)propanoylamino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)NC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C17H23N3O2/c1-3-10-18-17(22)12(2)20-16(21)9-8-13-11-19-15-7-5-4-6-14(13)15/h4-7,11-12,19H,3,8-10H2,1-2H3,(H,18,22)(H,20,21)/t12-/m0/s1
InChIKeyCQDODAIFJAHAEJ-LBPRGKRZSA-N
MW301.39 g/mol
LogP2.13
Rot. Bonds7

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

(2S)-2-[3-(1H-indol-3-yl)propanoylamino]-N-propylpropanamide (PubChem CID 27860985) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2S)-2-[3-(1H-indol-3-yl)propanoylamino]-N-propylpropanamide.

Molecular Properties

Compound Name(2S)-2-[3-(1H-indol-3-yl)propanoylamino]-N-propylpropanamide
PubChem CID27860985
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(2S)-2-[3-(1H-indol-3-yl)propanoylamino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)NC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C17H23N3O2/c1-3-10-18-17(22)12(2)20-16(21)9-8-13-11-19-15-7-5-4-6-14(13)15/h4-7,11-12,19H,3,8-10H2,1-2H3,(H,18,22)(H,20,21)/t12-/m0/s1
InChIKeyCQDODAIFJAHAEJ-LBPRGKRZSA-N
XLogP2.13
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(1H-indol-3-yl)propanoylamino]-N-methylpropanamide
CID 47315730
(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-[3-(4-fluorophenyl)sulfonylpropanoylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 42571227
(2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid
CID 644229
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
(2S)-N-(6-acetamidohexyl)-2-[[2-(1H-indol-3-yl)acetyl]amino]propanamide
CID 10091557
(2S,3S)-2-[3-(1H-indol-3-yl)propanoylamino]-3-methylpentanoic acid
CID 7094652
N-(4-ethylsulfanylbutan-2-yl)-3-(1H-indol-3-yl)propanamide
CID 115662191
3-(1H-indol-3-yl)-N-(1-methoxypropan-2-yl)propanamide
CID 18074487
calcium (2S)-2-[[(2S)-2-(butanoylamino)propanoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 110187481
4-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 18162740

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(1H-indol-3-yl)propanoylamino]-N-propylpropanamide?
The IUPAC name of (2S)-2-[3-(1H-indol-3-yl)propanoylamino]-N-propylpropanamide (CID 27860985) is (2S)-2-[3-(1H-indol-3-yl)propanoylamino]-N-propylpropanamide.
What is the SMILES notation for (2S)-2-[3-(1H-indol-3-yl)propanoylamino]-N-propylpropanamide?
The canonical SMILES for (2S)-2-[3-(1H-indol-3-yl)propanoylamino]-N-propylpropanamide is CCCNC(=O)[C@H](C)NC(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of (2S)-2-[3-(1H-indol-3-yl)propanoylamino]-N-propylpropanamide?
The InChIKey is CQDODAIFJAHAEJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-3-10-18-17(22)12(2)20-16(21)9-8-13-11-19-15-7-5-4-6-14(13)15/h4-7,11-12,19H,3,8-10H2,1-2H3,(H,18,22)(H,20,21)/t12-/m0/s1.
What are the key properties of (2S)-2-[3-(1H-indol-3-yl)propanoylamino]-N-propylpropanamide?
(2S)-2-[3-(1H-indol-3-yl)propanoylamino]-N-propylpropanamide has a molecular weight of 301.39 g/mol, XLogP of 2.13, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(1H-indol-3-yl)propanoylamino]-N-propylpropanamide is sourced from PubChem (CID 27860985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).