2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide

C19H19N3O2 — CID 46449928

IUPAC2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1
InChIInChI=1S/C19H19N3O2/c1-13(23)21-18(19(24)22-15-7-3-2-4-8-15)11-14-12-20-17-10-6-5-9-16(14)17/h2-10,12,18,20H,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyPRMUDGPRJQFDNB-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.85
Rot. Bonds5

About 2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide

2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide (PubChem CID 46449928) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide.

Molecular Properties

Compound Name2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
PubChem CID46449928
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1
InChIInChI=1S/C19H19N3O2/c1-13(23)21-18(19(24)22-15-7-3-2-4-8-15)11-14-12-20-17-10-6-5-9-16(14)17/h2-10,12,18,20H,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyPRMUDGPRJQFDNB-UHFFFAOYSA-N
XLogP2.85
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide
CID 51163813
2-acetamido-N-[4-(diethylamino)phenyl]-3-(1H-indol-3-yl)propanamide
CID 19818816
(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-acetamido-N-(4-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 51161582
N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-methylbutanamide
CID 110286559
ethyl N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 40830371
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
2-acetamido-N-(4-acetamido-3-methylphenyl)-3-(1H-indol-3-yl)propanamide
CID 46421755
3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-N,N-dimethylbenzamide
CID 51339051
2-acetamido-N-(3-anilinocyclobutyl)-3-(1H-indol-3-yl)propanamide
CID 166250312
2-acetamido-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 4224605

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide?
The IUPAC name of 2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide (CID 46449928) is 2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide.
What is the SMILES notation for 2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide?
The canonical SMILES for 2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1.
What is the InChIKey of 2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide?
The InChIKey is PRMUDGPRJQFDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13(23)21-18(19(24)22-15-7-3-2-4-8-15)11-14-12-20-17-10-6-5-9-16(14)17/h2-10,12,18,20H,11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide?
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide has a molecular weight of 321.38 g/mol, XLogP of 2.85, 5 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-phenylpropanamide is sourced from PubChem (CID 46449928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).