2-amino-3-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)propanamide

C20H23N3O — CID 43841967

IUPAC2-amino-3-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(N)Cc2c[nH]c3ccccc23)c(C)c1
InChIInChI=1S/C20H23N3O/c1-12-8-13(2)19(14(3)9-12)23-20(24)17(21)10-15-11-22-18-7-5-4-6-16(15)18/h4-9,11,17,22H,10,21H2,1-3H3,(H,23,24)
InChIKeyFZMJMMMUXPRDQH-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.60
Rot. Bonds4

About 2-amino-3-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)propanamide

2-amino-3-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 43841967) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-amino-3-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name2-amino-3-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID43841967
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-amino-3-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(N)Cc2c[nH]c3ccccc23)c(C)c1
InChIInChI=1S/C20H23N3O/c1-12-8-13(2)19(14(3)9-12)23-20(24)17(21)10-15-11-22-18-7-5-4-6-16(15)18/h4-9,11,17,22H,10,21H2,1-3H3,(H,23,24)
InChIKeyFZMJMMMUXPRDQH-UHFFFAOYSA-N
XLogP3.60
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2,6-dichlorophenyl)-3-(1H-indol-3-yl)propanamide
CID 22691619
(2R)-2-amino-3-(1H-indol-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 104910728
(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
2-amino-3-(1H-indol-3-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 57128204
(2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 119956073
2-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-2-methylpropanoate
CID 169008228
(2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
CID 83020765
2-amino-N-carbamoyl-3-(1H-indol-3-yl)propanamide
CID 114350832
5-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentylcarbamic acid
CID 91013760
(2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methylphenyl)ethyl]propanamide
CID 119956347
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methylbutan-2-yl)propanamide
CID 61148502
2-amino-3-(1H-indol-3-yl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 114350943

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 2-amino-3-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)propanamide (CID 43841967) is 2-amino-3-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 2-amino-3-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 2-amino-3-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)C(N)Cc2c[nH]c3ccccc23)c(C)c1.
What is the InChIKey of 2-amino-3-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is FZMJMMMUXPRDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-12-8-13(2)19(14(3)9-12)23-20(24)17(21)10-15-11-22-18-7-5-4-6-16(15)18/h4-9,11,17,22H,10,21H2,1-3H3,(H,23,24).
What are the key properties of 2-amino-3-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)propanamide?
2-amino-3-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 321.42 g/mol, XLogP of 3.60, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 43841967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).