3-(1H-indol-3-yl)-2-methyl-N-[2-phenyl-2-[3-(2H-tetrazol-5-yl)propanoylamino]ethyl]propanamide

C24H27N7O2 — CID 54452173

IUPAC3-(1H-indol-3-yl)-2-methyl-N-[2-phenyl-2-[3-(2H-tetrazol-5-yl)propanoylamino]ethyl]propanamide
SMILESCC(Cc1c[nH]c2ccccc12)C(=O)NCC(NC(=O)CCc1nn[nH]n1)c1ccccc1
InChIInChI=1S/C24H27N7O2/c1-16(13-18-14-25-20-10-6-5-9-19(18)20)24(33)26-15-21(17-7-3-2-4-8-17)27-23(32)12-11-22-28-30-31-29-22/h2-10,14,16,21,25H,11-13,15H2,1H3,(H,26,33)(H,27,32)(H,28,29,30,31)
InChIKeyUUAYMOICSVPVGK-UHFFFAOYSA-N
MW445.53 g/mol
LogP2.47
Rot. Bonds10

About 3-(1H-indol-3-yl)-2-methyl-N-[2-phenyl-2-[3-(2H-tetrazol-5-yl)propanoylamino]ethyl]propanamide

3-(1H-indol-3-yl)-2-methyl-N-[2-phenyl-2-[3-(2H-tetrazol-5-yl)propanoylamino]ethyl]propanamide (PubChem CID 54452173) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-2-methyl-N-[2-phenyl-2-[3-(2H-tetrazol-5-yl)propanoylamino]ethyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-2-methyl-N-[2-phenyl-2-[3-(2H-tetrazol-5-yl)propanoylamino]ethyl]propanamide
PubChem CID54452173
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC Name3-(1H-indol-3-yl)-2-methyl-N-[2-phenyl-2-[3-(2H-tetrazol-5-yl)propanoylamino]ethyl]propanamide
SMILESCC(Cc1c[nH]c2ccccc12)C(=O)NCC(NC(=O)CCc1nn[nH]n1)c1ccccc1
InChIInChI=1S/C24H27N7O2/c1-16(13-18-14-25-20-10-6-5-9-19(18)20)24(33)26-15-21(17-7-3-2-4-8-17)27-23(32)12-11-22-28-30-31-29-22/h2-10,14,16,21,25H,11-13,15H2,1H3,(H,26,33)(H,27,32)(H,28,29,30,31)
InChIKeyUUAYMOICSVPVGK-UHFFFAOYSA-N
XLogP2.47
TPSA128.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 582677
3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoic acid
CID 582733
5-[[1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-2-(methylamino)-5-oxopentanoic acid
CID 85064207
(2S)-3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)-N-propan-2-ylpropanamide
CID 110286296
N-[1-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
CID 142880124
4-[[2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid
CID 70693901
(2S)-2-[3-(2-chlorophenyl)propanoylamino]-3-(1H-indol-3-yl)propanoic acid
CID 41119859
N-[2-(1H-indol-3-yl)ethyl]-2-(2H-tetrazol-5-yl)acetamide
CID 110499402
3-(1H-indol-3-yl)-2-methyl-N-(2-methyl-2-phenylpropyl)propanamide
CID 70207530
4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide
CID 4806761
3-(1H-indol-3-yl)-2-methyl-N-(2-pyrrol-1-ylethyl)propanamide
CID 70159109
N-[(1S)-1,2-diphenylethyl]-2-(1H-indol-3-yl)acetamide
CID 9442039

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-2-methyl-N-[2-phenyl-2-[3-(2H-tetrazol-5-yl)propanoylamino]ethyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-2-methyl-N-[2-phenyl-2-[3-(2H-tetrazol-5-yl)propanoylamino]ethyl]propanamide (CID 54452173) is 3-(1H-indol-3-yl)-2-methyl-N-[2-phenyl-2-[3-(2H-tetrazol-5-yl)propanoylamino]ethyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-2-methyl-N-[2-phenyl-2-[3-(2H-tetrazol-5-yl)propanoylamino]ethyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-2-methyl-N-[2-phenyl-2-[3-(2H-tetrazol-5-yl)propanoylamino]ethyl]propanamide is CC(Cc1c[nH]c2ccccc12)C(=O)NCC(NC(=O)CCc1nn[nH]n1)c1ccccc1.
What is the InChIKey of 3-(1H-indol-3-yl)-2-methyl-N-[2-phenyl-2-[3-(2H-tetrazol-5-yl)propanoylamino]ethyl]propanamide?
The InChIKey is UUAYMOICSVPVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-16(13-18-14-25-20-10-6-5-9-19(18)20)24(33)26-15-21(17-7-3-2-4-8-17)27-23(32)12-11-22-28-30-31-29-22/h2-10,14,16,21,25H,11-13,15H2,1H3,(H,26,33)(H,27,32)(H,28,29,30,31).
What are the key properties of 3-(1H-indol-3-yl)-2-methyl-N-[2-phenyl-2-[3-(2H-tetrazol-5-yl)propanoylamino]ethyl]propanamide?
3-(1H-indol-3-yl)-2-methyl-N-[2-phenyl-2-[3-(2H-tetrazol-5-yl)propanoylamino]ethyl]propanamide has a molecular weight of 445.53 g/mol, XLogP of 2.47, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-2-methyl-N-[2-phenyl-2-[3-(2H-tetrazol-5-yl)propanoylamino]ethyl]propanamide is sourced from PubChem (CID 54452173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).