2-acetamido-N-[(1S)-1-(1H-indol-5-yl)ethyl]-2-methylpropanamide

C16H21N3O2 — CID 126433779

IUPAC2-acetamido-N-[(1S)-1-(1H-indol-5-yl)ethyl]-2-methylpropanamide
SMILESCC(=O)NC(C)(C)C(=O)N[C@@H](C)c1ccc2[nH]ccc2c1
InChIInChI=1S/C16H21N3O2/c1-10(18-15(21)16(3,4)19-11(2)20)12-5-6-14-13(9-12)7-8-17-14/h5-10,17H,1-4H3,(H,18,21)(H,19,20)/t10-/m0/s1
InChIKeyHOKQOQZRJQOMGY-JTQLQIEISA-N
MW287.36 g/mol
LogP2.26
Rot. Bonds4

About 2-acetamido-N-[(1S)-1-(1H-indol-5-yl)ethyl]-2-methylpropanamide

2-acetamido-N-[(1S)-1-(1H-indol-5-yl)ethyl]-2-methylpropanamide (PubChem CID 126433779) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-acetamido-N-[(1S)-1-(1H-indol-5-yl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-[(1S)-1-(1H-indol-5-yl)ethyl]-2-methylpropanamide
PubChem CID126433779
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-acetamido-N-[(1S)-1-(1H-indol-5-yl)ethyl]-2-methylpropanamide
SMILESCC(=O)NC(C)(C)C(=O)N[C@@H](C)c1ccc2[nH]ccc2c1
InChIInChI=1S/C16H21N3O2/c1-10(18-15(21)16(3,4)19-11(2)20)12-5-6-14-13(9-12)7-8-17-14/h5-10,17H,1-4H3,(H,18,21)(H,19,20)/t10-/m0/s1
InChIKeyHOKQOQZRJQOMGY-JTQLQIEISA-N
XLogP2.26
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(1H-indol-5-yl)-N-methylethanamine
CID 55276552
2-(1H-indol-5-yl)propanamide
CID 140559721
5-propan-2-yl-1H-indole
CID 10558918
methyl (2R)-2-amino-2-(1H-indol-5-yl)acetate
CID 131526259
N-[3,4-dihydroxy-4-(1H-indol-5-yl)butyl]acetamide
CID 171883218
methyl (3R)-3-amino-3-(1H-indol-5-yl)-2,2-dimethylpropanoate;hydrochloride
CID 171241452
1-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-5-yl)urea
CID 95312253
5-(1-chloroethyl)-1H-indole
CID 174700849
N-[1-(3-bromophenyl)ethyl]-1H-indole-5-carboxamide
CID 63716758
N-tert-butyl-2-(1H-indol-5-yl)-2-oxoacetamide
CID 132598118
2-bromo-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide
CID 114327723
N-[1-(6-bromonaphthalen-2-yl)ethyl]acetamide
CID 68760589

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(1S)-1-(1H-indol-5-yl)ethyl]-2-methylpropanamide?
The IUPAC name of 2-acetamido-N-[(1S)-1-(1H-indol-5-yl)ethyl]-2-methylpropanamide (CID 126433779) is 2-acetamido-N-[(1S)-1-(1H-indol-5-yl)ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-acetamido-N-[(1S)-1-(1H-indol-5-yl)ethyl]-2-methylpropanamide?
The canonical SMILES for 2-acetamido-N-[(1S)-1-(1H-indol-5-yl)ethyl]-2-methylpropanamide is CC(=O)NC(C)(C)C(=O)N[C@@H](C)c1ccc2[nH]ccc2c1.
What is the InChIKey of 2-acetamido-N-[(1S)-1-(1H-indol-5-yl)ethyl]-2-methylpropanamide?
The InChIKey is HOKQOQZRJQOMGY-JTQLQIEISA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10(18-15(21)16(3,4)19-11(2)20)12-5-6-14-13(9-12)7-8-17-14/h5-10,17H,1-4H3,(H,18,21)(H,19,20)/t10-/m0/s1.
What are the key properties of 2-acetamido-N-[(1S)-1-(1H-indol-5-yl)ethyl]-2-methylpropanamide?
2-acetamido-N-[(1S)-1-(1H-indol-5-yl)ethyl]-2-methylpropanamide has a molecular weight of 287.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(1S)-1-(1H-indol-5-yl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 126433779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).