1-[2-[(2-benzyl-3-hydroxy-2-methylbutyl)amino]-2-oxoethyl]indole-3-carboxamide

C23H27N3O3 — CID 146090489

IUPAC1-[2-[(2-benzyl-3-hydroxy-2-methylbutyl)amino]-2-oxoethyl]indole-3-carboxamide
SMILESCC(O)C(C)(CNC(=O)Cn1cc(C(N)=O)c2ccccc21)Cc1ccccc1
InChIInChI=1S/C23H27N3O3/c1-16(27)23(2,12-17-8-4-3-5-9-17)15-25-21(28)14-26-13-19(22(24)29)18-10-6-7-11-20(18)26/h3-11,13,16,27H,12,14-15H2,1-2H3,(H2,24,29)(H,25,28)
InChIKeyKVWKIWZUFNWJEK-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.49
Rot. Bonds8

About 1-[2-[(2-benzyl-3-hydroxy-2-methylbutyl)amino]-2-oxoethyl]indole-3-carboxamide

1-[2-[(2-benzyl-3-hydroxy-2-methylbutyl)amino]-2-oxoethyl]indole-3-carboxamide (PubChem CID 146090489) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-[2-[(2-benzyl-3-hydroxy-2-methylbutyl)amino]-2-oxoethyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(2-benzyl-3-hydroxy-2-methylbutyl)amino]-2-oxoethyl]indole-3-carboxamide
PubChem CID146090489
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name1-[2-[(2-benzyl-3-hydroxy-2-methylbutyl)amino]-2-oxoethyl]indole-3-carboxamide
SMILESCC(O)C(C)(CNC(=O)Cn1cc(C(N)=O)c2ccccc21)Cc1ccccc1
InChIInChI=1S/C23H27N3O3/c1-16(27)23(2,12-17-8-4-3-5-9-17)15-25-21(28)14-26-13-19(22(24)29)18-10-6-7-11-20(18)26/h3-11,13,16,27H,12,14-15H2,1-2H3,(H2,24,29)(H,25,28)
InChIKeyKVWKIWZUFNWJEK-UHFFFAOYSA-N
XLogP2.49
TPSA97.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-butanoylindol-1-yl)-N-(2-phenylethyl)acetamide
CID 4655442
2-(3-acetylindol-1-yl)-N-tert-butylacetamide
CID 972491
2-(3-benzoylindol-1-yl)-N-propan-2-ylacetamide
CID 972360
1-[2-[[3-[(3-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]indole-3-carboxamide
CID 154858606
2-(3-acetylindol-1-yl)-N-propylacetamide
CID 117098452
1-(2-hydroxyethyl)indole-3-carboxamide
CID 172792494
1-[2-[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-2-oxoethyl]indole-3-carboxamide
CID 56878336
N-[(2S,3R)-2-benzyl-3-hydroxy-2-methylbutyl]oxane-4-carboxamide
CID 99835299
N,N-diethyl-2-oxo-2-[1-[2-oxo-2-(2-phenylethylamino)ethyl]indol-3-yl]acetamide
CID 5298767
2-(3-benzylsulfonylindol-1-yl)-N-propylacetamide
CID 30558630
N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-benzylindole-3-carboxamide
CID 129375242
2-[3-(furan-2-carbonyl)indol-1-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 1096041

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-benzyl-3-hydroxy-2-methylbutyl)amino]-2-oxoethyl]indole-3-carboxamide?
The IUPAC name of 1-[2-[(2-benzyl-3-hydroxy-2-methylbutyl)amino]-2-oxoethyl]indole-3-carboxamide (CID 146090489) is 1-[2-[(2-benzyl-3-hydroxy-2-methylbutyl)amino]-2-oxoethyl]indole-3-carboxamide.
What is the SMILES notation for 1-[2-[(2-benzyl-3-hydroxy-2-methylbutyl)amino]-2-oxoethyl]indole-3-carboxamide?
The canonical SMILES for 1-[2-[(2-benzyl-3-hydroxy-2-methylbutyl)amino]-2-oxoethyl]indole-3-carboxamide is CC(O)C(C)(CNC(=O)Cn1cc(C(N)=O)c2ccccc21)Cc1ccccc1.
What is the InChIKey of 1-[2-[(2-benzyl-3-hydroxy-2-methylbutyl)amino]-2-oxoethyl]indole-3-carboxamide?
The InChIKey is KVWKIWZUFNWJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-16(27)23(2,12-17-8-4-3-5-9-17)15-25-21(28)14-26-13-19(22(24)29)18-10-6-7-11-20(18)26/h3-11,13,16,27H,12,14-15H2,1-2H3,(H2,24,29)(H,25,28).
What are the key properties of 1-[2-[(2-benzyl-3-hydroxy-2-methylbutyl)amino]-2-oxoethyl]indole-3-carboxamide?
1-[2-[(2-benzyl-3-hydroxy-2-methylbutyl)amino]-2-oxoethyl]indole-3-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.49, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-benzyl-3-hydroxy-2-methylbutyl)amino]-2-oxoethyl]indole-3-carboxamide is sourced from PubChem (CID 146090489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).