N-[2-(1H-indol-3-yl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide

C16H22N4O2 — CID 112993944

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide
SMILESCC(C)NC(=O)NCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H22N4O2/c1-11(2)20-16(22)19-10-15(21)17-8-7-12-9-18-14-6-4-3-5-13(12)14/h3-6,9,11,18H,7-8,10H2,1-2H3,(H,17,21)(H2,19,20,22)
InChIKeyAADPIRAGYRGZEP-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.53
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide

N-[2-(1H-indol-3-yl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide (PubChem CID 112993944) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide
PubChem CID112993944
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide
SMILESCC(C)NC(=O)NCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H22N4O2/c1-11(2)20-16(22)19-10-15(21)17-8-7-12-9-18-14-6-4-3-5-13(12)14/h3-6,9,11,18H,7-8,10H2,1-2H3,(H,17,21)(H2,19,20,22)
InChIKeyAADPIRAGYRGZEP-UHFFFAOYSA-N
XLogP1.53
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350
2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 108992856
2-amino-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]acetamide
CID 61258221
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
(2S,3S)-2-[2-(1H-indol-3-yl)ethylcarbamoylamino]-3-methylpentanoic acid
CID 25427179
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopentanamide
CID 20668757
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912609
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112993936
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
CID 108999978
2-(4-acetamidoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002483
4-[2-(1H-indol-3-yl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496413

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide (CID 112993944) is N-[2-(1H-indol-3-yl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide is CC(C)NC(=O)NCC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide?
The InChIKey is AADPIRAGYRGZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11(2)20-16(22)19-10-15(21)17-8-7-12-9-18-14-6-4-3-5-13(12)14/h3-6,9,11,18H,7-8,10H2,1-2H3,(H,17,21)(H2,19,20,22).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide?
N-[2-(1H-indol-3-yl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide has a molecular weight of 302.38 g/mol, XLogP of 1.53, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide is sourced from PubChem (CID 112993944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).