N-(2-methylpropyl)-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide

C22H25N3O2 — CID 83280451

IUPACN-(2-methylpropyl)-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide
SMILESCC(C)CNC(=O)c1cc2cc(NC(=O)CCc3ccccc3)ccc2[nH]1
InChIInChI=1S/C22H25N3O2/c1-15(2)14-23-22(27)20-13-17-12-18(9-10-19(17)25-20)24-21(26)11-8-16-6-4-3-5-7-16/h3-7,9-10,12-13,15,25H,8,11,14H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyAQQJSOZEAHJLQT-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.12
Rot. Bonds7

About N-(2-methylpropyl)-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide

N-(2-methylpropyl)-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide (PubChem CID 83280451) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide
PubChem CID83280451
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-(2-methylpropyl)-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide
SMILESCC(C)CNC(=O)c1cc2cc(NC(=O)CCc3ccccc3)ccc2[nH]1
InChIInChI=1S/C22H25N3O2/c1-15(2)14-23-22(27)20-13-17-12-18(9-10-19(17)25-20)24-21(26)11-8-16-6-4-3-5-7-16/h3-7,9-10,12-13,15,25H,8,11,14H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyAQQJSOZEAHJLQT-UHFFFAOYSA-N
XLogP4.12
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide
CID 83289883
2-(dimethylamino)-N-(2-methylpropyl)-5-(3-phenylpropanoylamino)benzamide
CID 42747211
N-(2-methylpropyl)-5-[[4-(trifluoromethyl)benzoyl]amino]-1H-indole-2-carboxamide
CID 83280456
N-benzyl-5-[[2-(4-fluorophenyl)acetyl]amino]-1H-indole-2-carboxamide
CID 83289806
5-methyl-N-[(2S)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 7322431
3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 819687
N-[5-(2-aminoethylcarbamoyl)-1-(2-methylpropyl)pyrrol-3-yl]-5-(3-aminopropanoylamino)-1H-indole-2-carboxamide
CID 86591608
5-fluoro-N-[(2R)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 39982788
N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide
CID 668304
3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 112765575
ethyl 5-[[4-[(2-ethoxycarbonyl-1H-indol-5-yl)amino]-4-oxobutanoyl]amino]-1H-indole-2-carboxylate
CID 71513334
N-(2-hydroxy-3-phenylpropyl)-1H-indole-2-carboxamide
CID 71921555

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide?
The IUPAC name of N-(2-methylpropyl)-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide (CID 83280451) is N-(2-methylpropyl)-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide is CC(C)CNC(=O)c1cc2cc(NC(=O)CCc3ccccc3)ccc2[nH]1.
What is the InChIKey of N-(2-methylpropyl)-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide?
The InChIKey is AQQJSOZEAHJLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15(2)14-23-22(27)20-13-17-12-18(9-10-19(17)25-20)24-21(26)11-8-16-6-4-3-5-7-16/h3-7,9-10,12-13,15,25H,8,11,14H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-(2-methylpropyl)-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide?
N-(2-methylpropyl)-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 4.12, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide is sourced from PubChem (CID 83280451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).