2-acetamido-3-(1H-indol-3-yl)-N-penta-3,4-dienylpropanamide

C18H21N3O2 — CID 166306258

IUPAC2-acetamido-3-(1H-indol-3-yl)-N-penta-3,4-dienylpropanamide
SMILESC=C=CCCNC(=O)C(Cc1c[nH]c2ccccc12)NC(C)=O
InChIInChI=1S/C18H21N3O2/c1-3-4-7-10-19-18(23)17(21-13(2)22)11-14-12-20-16-9-6-5-8-15(14)16/h4-6,8-9,12,17,20H,1,7,10-11H2,2H3,(H,19,23)(H,21,22)
InChIKeyCWAIHSXLGPZYDI-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.06
Rot. Bonds7

About 2-acetamido-3-(1H-indol-3-yl)-N-penta-3,4-dienylpropanamide

2-acetamido-3-(1H-indol-3-yl)-N-penta-3,4-dienylpropanamide (PubChem CID 166306258) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-acetamido-3-(1H-indol-3-yl)-N-penta-3,4-dienylpropanamide.

Molecular Properties

Compound Name2-acetamido-3-(1H-indol-3-yl)-N-penta-3,4-dienylpropanamide
PubChem CID166306258
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-acetamido-3-(1H-indol-3-yl)-N-penta-3,4-dienylpropanamide
SMILESC=C=CCCNC(=O)C(Cc1c[nH]c2ccccc12)NC(C)=O
InChIInChI=1S/C18H21N3O2/c1-3-4-7-10-19-18(23)17(21-13(2)22)11-14-12-20-16-9-6-5-8-15(14)16/h4-6,8-9,12,17,20H,1,7,10-11H2,2H3,(H,19,23)(H,21,22)
InChIKeyCWAIHSXLGPZYDI-UHFFFAOYSA-N
XLogP2.06
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 35352621
(2R)-2-acetamido-N-[(2-fluorophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 2206716
N-[2-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]ethyl]-2-chlorobenzamide
CID 46442024
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
ethyl 2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]acetate
CID 101206740
2-acetamido-N-[2-(diethylamino)propyl]-3-(1H-indol-3-yl)propanamide
CID 55683583
2-acetamido-3-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 4919452
2-acetamido-N-(1H-benzimidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 78790797
2-acetamido-N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]-3-(1H-indol-3-yl)propanamide
CID 23276981
2-acetamido-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 4224605
2-acetamido-3-(1H-indol-3-yl)-N-(1H-indol-2-ylmethyl)propanamide
CID 47086404

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(1H-indol-3-yl)-N-penta-3,4-dienylpropanamide?
The IUPAC name of 2-acetamido-3-(1H-indol-3-yl)-N-penta-3,4-dienylpropanamide (CID 166306258) is 2-acetamido-3-(1H-indol-3-yl)-N-penta-3,4-dienylpropanamide.
What is the SMILES notation for 2-acetamido-3-(1H-indol-3-yl)-N-penta-3,4-dienylpropanamide?
The canonical SMILES for 2-acetamido-3-(1H-indol-3-yl)-N-penta-3,4-dienylpropanamide is C=C=CCCNC(=O)C(Cc1c[nH]c2ccccc12)NC(C)=O.
What is the InChIKey of 2-acetamido-3-(1H-indol-3-yl)-N-penta-3,4-dienylpropanamide?
The InChIKey is CWAIHSXLGPZYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-3-4-7-10-19-18(23)17(21-13(2)22)11-14-12-20-16-9-6-5-8-15(14)16/h4-6,8-9,12,17,20H,1,7,10-11H2,2H3,(H,19,23)(H,21,22).
What are the key properties of 2-acetamido-3-(1H-indol-3-yl)-N-penta-3,4-dienylpropanamide?
2-acetamido-3-(1H-indol-3-yl)-N-penta-3,4-dienylpropanamide has a molecular weight of 311.39 g/mol, XLogP of 2.06, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(1H-indol-3-yl)-N-penta-3,4-dienylpropanamide is sourced from PubChem (CID 166306258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).