2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide

C21H23N3O2 — CID 51163813

IUPAC2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C21H23N3O2/c1-13-8-14(2)10-17(9-13)24-21(26)20(23-15(3)25)11-16-12-22-19-7-5-4-6-18(16)19/h4-10,12,20,22H,11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyWNYAYEKCOFFFCG-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.47
Rot. Bonds5

About 2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide

2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide (PubChem CID 51163813) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide
PubChem CID51163813
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C21H23N3O2/c1-13-8-14(2)10-17(9-13)24-21(26)20(23-15(3)25)11-16-12-22-19-7-5-4-6-18(16)19/h4-10,12,20,22H,11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyWNYAYEKCOFFFCG-UHFFFAOYSA-N
XLogP3.47
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
2-acetamido-N-(4-acetamido-3-methylphenyl)-3-(1H-indol-3-yl)propanamide
CID 46421755
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-(3-iodophenyl)propanamide
CID 55937867
2-acetamido-N-[4-(diethylamino)phenyl]-3-(1H-indol-3-yl)propanamide
CID 19818816
2-acetamido-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide
CID 43926506
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
2-acetamido-N-(4-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 51161582
3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-N,N-dimethylbenzamide
CID 51339051
N-[3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]phenyl]furan-2-carboxamide
CID 46510572
(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl isocyanide
CID 101405165
N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-methylbutanamide
CID 110286559
2-acetamido-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 4224605

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of 2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide (CID 51163813) is 2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for 2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for 2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of 2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is WNYAYEKCOFFFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-13-8-14(2)10-17(9-13)24-21(26)20(23-15(3)25)11-16-12-22-19-7-5-4-6-18(16)19/h4-10,12,20,22H,11H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide?
2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 349.43 g/mol, XLogP of 3.47, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 51163813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).