2-methyl-N-[(1-methylindol-2-yl)methyl]-N-(3-phenylpropyl)-2-(1,2,4-triazol-1-yl)propanamide

C25H29N5O — CID 42793636

IUPAC2-methyl-N-[(1-methylindol-2-yl)methyl]-N-(3-phenylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCn1c(CN(CCCc2ccccc2)C(=O)C(C)(C)n2cncn2)cc2ccccc21
InChIInChI=1S/C25H29N5O/c1-25(2,30-19-26-18-27-30)24(31)29(15-9-12-20-10-5-4-6-11-20)17-22-16-21-13-7-8-14-23(21)28(22)3/h4-8,10-11,13-14,16,18-19H,9,12,15,17H2,1-3H3
InChIKeyQYSOIHQBXZPILO-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.17
Rot. Bonds8

About 2-methyl-N-[(1-methylindol-2-yl)methyl]-N-(3-phenylpropyl)-2-(1,2,4-triazol-1-yl)propanamide

2-methyl-N-[(1-methylindol-2-yl)methyl]-N-(3-phenylpropyl)-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 42793636) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylindol-2-yl)methyl]-N-(3-phenylpropyl)-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-[(1-methylindol-2-yl)methyl]-N-(3-phenylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID42793636
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name2-methyl-N-[(1-methylindol-2-yl)methyl]-N-(3-phenylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCn1c(CN(CCCc2ccccc2)C(=O)C(C)(C)n2cncn2)cc2ccccc21
InChIInChI=1S/C25H29N5O/c1-25(2,30-19-26-18-27-30)24(31)29(15-9-12-20-10-5-4-6-11-20)17-22-16-21-13-7-8-14-23(21)28(22)3/h4-8,10-11,13-14,16,18-19H,9,12,15,17H2,1-3H3
InChIKeyQYSOIHQBXZPILO-UHFFFAOYSA-N
XLogP4.17
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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methyl 3-[benzyl-(1-methylindole-2-carbonyl)amino]propanoate
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N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(3-phenylpropyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylindol-2-yl)methyl]-N-(3-phenylpropyl)-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of 2-methyl-N-[(1-methylindol-2-yl)methyl]-N-(3-phenylpropyl)-2-(1,2,4-triazol-1-yl)propanamide (CID 42793636) is 2-methyl-N-[(1-methylindol-2-yl)methyl]-N-(3-phenylpropyl)-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for 2-methyl-N-[(1-methylindol-2-yl)methyl]-N-(3-phenylpropyl)-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for 2-methyl-N-[(1-methylindol-2-yl)methyl]-N-(3-phenylpropyl)-2-(1,2,4-triazol-1-yl)propanamide is Cn1c(CN(CCCc2ccccc2)C(=O)C(C)(C)n2cncn2)cc2ccccc21.
What is the InChIKey of 2-methyl-N-[(1-methylindol-2-yl)methyl]-N-(3-phenylpropyl)-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is QYSOIHQBXZPILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-25(2,30-19-26-18-27-30)24(31)29(15-9-12-20-10-5-4-6-11-20)17-22-16-21-13-7-8-14-23(21)28(22)3/h4-8,10-11,13-14,16,18-19H,9,12,15,17H2,1-3H3.
What are the key properties of 2-methyl-N-[(1-methylindol-2-yl)methyl]-N-(3-phenylpropyl)-2-(1,2,4-triazol-1-yl)propanamide?
2-methyl-N-[(1-methylindol-2-yl)methyl]-N-(3-phenylpropyl)-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 415.54 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylindol-2-yl)methyl]-N-(3-phenylpropyl)-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 42793636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).