2-acetamido-N-(4-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide

C21H23N3O3 — CID 51161582

IUPAC2-acetamido-N-(4-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide
SMILESCCOc1ccc(NC(=O)C(Cc2c[nH]c3ccccc23)NC(C)=O)cc1
InChIInChI=1S/C21H23N3O3/c1-3-27-17-10-8-16(9-11-17)24-21(26)20(23-14(2)25)12-15-13-22-19-7-5-4-6-18(15)19/h4-11,13,20,22H,3,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyBIMRGLTXRMKVPS-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.25
Rot. Bonds7

About 2-acetamido-N-(4-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide

2-acetamido-N-(4-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide (PubChem CID 51161582) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-acetamido-N-(4-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-(4-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide
PubChem CID51161582
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-acetamido-N-(4-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide
SMILESCCOc1ccc(NC(=O)C(Cc2c[nH]c3ccccc23)NC(C)=O)cc1
InChIInChI=1S/C21H23N3O3/c1-3-27-17-10-8-16(9-11-17)24-21(26)20(23-14(2)25)12-15-13-22-19-7-5-4-6-18(15)19/h4-11,13,20,22H,3,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyBIMRGLTXRMKVPS-UHFFFAOYSA-N
XLogP3.25
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
2-acetamido-N-[4-(diethylamino)phenyl]-3-(1H-indol-3-yl)propanamide
CID 19818816
N-[1-[4-[2-(dimethylamino)-2-oxoethoxy]anilino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55651213
2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide
CID 51163813
ethyl N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 40830371
2-acetamido-N-(4-acetamido-3-methylphenyl)-3-(1H-indol-3-yl)propanamide
CID 46421755
2-acetamido-3-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 4919452
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-(3-iodophenyl)propanamide
CID 55937867
2-acetamido-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide
CID 43926506
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
CID 25371790
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
2-acetamido-3-(1H-indol-3-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 55734095

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(4-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of 2-acetamido-N-(4-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide (CID 51161582) is 2-acetamido-N-(4-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for 2-acetamido-N-(4-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for 2-acetamido-N-(4-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide is CCOc1ccc(NC(=O)C(Cc2c[nH]c3ccccc23)NC(C)=O)cc1.
What is the InChIKey of 2-acetamido-N-(4-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is BIMRGLTXRMKVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-3-27-17-10-8-16(9-11-17)24-21(26)20(23-14(2)25)12-15-13-22-19-7-5-4-6-18(15)19/h4-11,13,20,22H,3,12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2-acetamido-N-(4-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide?
2-acetamido-N-(4-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 365.43 g/mol, XLogP of 3.25, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(4-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 51161582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).