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

C18H23N3O2 — CID 113115565

IUPAC3-[acetyl(prop-2-enyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESC=CCN(CCC(=O)NCCc1c[nH]c2ccccc12)C(C)=O
InChIInChI=1S/C18H23N3O2/c1-3-11-21(14(2)22)12-9-18(23)19-10-8-15-13-20-17-7-5-4-6-16(15)17/h3-7,13,20H,1,8-12H2,2H3,(H,19,23)
InChIKeyBVHUDPHJMCEIMZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.25
Rot. Bonds8

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

3-[acetyl(prop-2-enyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide (PubChem CID 113115565) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-[acetyl(prop-2-enyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(prop-2-enyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
PubChem CID113115565
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-[acetyl(prop-2-enyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESC=CCN(CCC(=O)NCCc1c[nH]c2ccccc12)C(C)=O
InChIInChI=1S/C18H23N3O2/c1-3-11-21(14(2)22)12-9-18(23)19-10-8-15-13-20-17-7-5-4-6-16(15)17/h3-7,13,20H,1,8-12H2,2H3,(H,19,23)
InChIKeyBVHUDPHJMCEIMZ-UHFFFAOYSA-N
XLogP2.25
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[acetyl(butyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113115765
3-[acetyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113116924
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
N-but-3-enyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 11448238
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113121768
N-[2-(1H-indol-3-yl)-2-oxoethyl]-N-prop-2-enylacetamide
CID 84573298
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
7-amino-N-[2-(1H-indol-3-yl)ethyl]heptanamide;hydrochloride
CID 75493600

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(prop-2-enyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of 3-[acetyl(prop-2-enyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide (CID 113115565) is 3-[acetyl(prop-2-enyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-[acetyl(prop-2-enyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-[acetyl(prop-2-enyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide is C=CCN(CCC(=O)NCCc1c[nH]c2ccccc12)C(C)=O.
What is the InChIKey of 3-[acetyl(prop-2-enyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The InChIKey is BVHUDPHJMCEIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-11-21(14(2)22)12-9-18(23)19-10-8-15-13-20-17-7-5-4-6-16(15)17/h3-7,13,20H,1,8-12H2,2H3,(H,19,23).
What are the key properties of 3-[acetyl(prop-2-enyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
3-[acetyl(prop-2-enyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide has a molecular weight of 313.40 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(prop-2-enyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 113115565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).