2-[methyl(2-phenylethyl)amino]-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-dihydroindene-2-carboxamide

C23H27N5O — CID 26405728

IUPAC2-[methyl(2-phenylethyl)amino]-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-dihydroindene-2-carboxamide
SMILESC[C@H](NC(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1)c1ncn[nH]1
InChIInChI=1S/C23H27N5O/c1-17(21-24-16-25-27-21)26-22(29)23(14-19-10-6-7-11-20(19)15-23)28(2)13-12-18-8-4-3-5-9-18/h3-11,16-17H,12-15H2,1-2H3,(H,26,29)(H,24,25,27)/t17-/m0/s1
InChIKeyWRJXJCBPKVJQMN-KRWDZBQOSA-N
MW389.50 g/mol
LogP2.69
Rot. Bonds7

About 2-[methyl(2-phenylethyl)amino]-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-dihydroindene-2-carboxamide

2-[methyl(2-phenylethyl)amino]-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-dihydroindene-2-carboxamide (PubChem CID 26405728) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[methyl(2-phenylethyl)amino]-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound Name2-[methyl(2-phenylethyl)amino]-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-dihydroindene-2-carboxamide
PubChem CID26405728
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name2-[methyl(2-phenylethyl)amino]-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-dihydroindene-2-carboxamide
SMILESC[C@H](NC(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1)c1ncn[nH]1
InChIInChI=1S/C23H27N5O/c1-17(21-24-16-25-27-21)26-22(29)23(14-19-10-6-7-11-20(19)15-23)28(2)13-12-18-8-4-3-5-9-18/h3-11,16-17H,12-15H2,1-2H3,(H,26,29)(H,24,25,27)/t17-/m0/s1
InChIKeyWRJXJCBPKVJQMN-KRWDZBQOSA-N
XLogP2.69
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-phenylethyl)amino]-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-dihydroindene-2-carboxamide?
The IUPAC name of 2-[methyl(2-phenylethyl)amino]-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-dihydroindene-2-carboxamide (CID 26405728) is 2-[methyl(2-phenylethyl)amino]-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for 2-[methyl(2-phenylethyl)amino]-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for 2-[methyl(2-phenylethyl)amino]-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-dihydroindene-2-carboxamide is C[C@H](NC(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1)c1ncn[nH]1.
What is the InChIKey of 2-[methyl(2-phenylethyl)amino]-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-dihydroindene-2-carboxamide?
The InChIKey is WRJXJCBPKVJQMN-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H27N5O/c1-17(21-24-16-25-27-21)26-22(29)23(14-19-10-6-7-11-20(19)15-23)28(2)13-12-18-8-4-3-5-9-18/h3-11,16-17H,12-15H2,1-2H3,(H,26,29)(H,24,25,27)/t17-/m0/s1.
What are the key properties of 2-[methyl(2-phenylethyl)amino]-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-dihydroindene-2-carboxamide?
2-[methyl(2-phenylethyl)amino]-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-dihydroindene-2-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-phenylethyl)amino]-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 26405728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).