2-[methyl(2-phenylethyl)amino]-N-[(3S)-oxan-3-yl]-1,3-dihydroindene-2-carboxamide

C24H30N2O2 — CID 95712632

IUPAC2-[methyl(2-phenylethyl)amino]-N-[(3S)-oxan-3-yl]-1,3-dihydroindene-2-carboxamide
SMILESCN(CCc1ccccc1)C1(C(=O)N[C@H]2CCCOC2)Cc2ccccc2C1
InChIInChI=1S/C24H30N2O2/c1-26(14-13-19-8-3-2-4-9-19)24(16-20-10-5-6-11-21(20)17-24)23(27)25-22-12-7-15-28-18-22/h2-6,8-11,22H,7,12-18H2,1H3,(H,25,27)/t22-/m0/s1
InChIKeyVTYJLNILFBVLFZ-QFIPXVFZSA-N
MW378.52 g/mol
LogP2.99
Rot. Bonds6

About 2-[methyl(2-phenylethyl)amino]-N-[(3S)-oxan-3-yl]-1,3-dihydroindene-2-carboxamide

2-[methyl(2-phenylethyl)amino]-N-[(3S)-oxan-3-yl]-1,3-dihydroindene-2-carboxamide (PubChem CID 95712632) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-[methyl(2-phenylethyl)amino]-N-[(3S)-oxan-3-yl]-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound Name2-[methyl(2-phenylethyl)amino]-N-[(3S)-oxan-3-yl]-1,3-dihydroindene-2-carboxamide
PubChem CID95712632
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name2-[methyl(2-phenylethyl)amino]-N-[(3S)-oxan-3-yl]-1,3-dihydroindene-2-carboxamide
SMILESCN(CCc1ccccc1)C1(C(=O)N[C@H]2CCCOC2)Cc2ccccc2C1
InChIInChI=1S/C24H30N2O2/c1-26(14-13-19-8-3-2-4-9-19)24(16-20-10-5-6-11-21(20)17-24)23(27)25-22-12-7-15-28-18-22/h2-6,8-11,22H,7,12-18H2,1H3,(H,25,27)/t22-/m0/s1
InChIKeyVTYJLNILFBVLFZ-QFIPXVFZSA-N
XLogP2.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-phenylethyl)amino]-N-[(3S)-oxan-3-yl]-1,3-dihydroindene-2-carboxamide?
The IUPAC name of 2-[methyl(2-phenylethyl)amino]-N-[(3S)-oxan-3-yl]-1,3-dihydroindene-2-carboxamide (CID 95712632) is 2-[methyl(2-phenylethyl)amino]-N-[(3S)-oxan-3-yl]-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for 2-[methyl(2-phenylethyl)amino]-N-[(3S)-oxan-3-yl]-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for 2-[methyl(2-phenylethyl)amino]-N-[(3S)-oxan-3-yl]-1,3-dihydroindene-2-carboxamide is CN(CCc1ccccc1)C1(C(=O)N[C@H]2CCCOC2)Cc2ccccc2C1.
What is the InChIKey of 2-[methyl(2-phenylethyl)amino]-N-[(3S)-oxan-3-yl]-1,3-dihydroindene-2-carboxamide?
The InChIKey is VTYJLNILFBVLFZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-26(14-13-19-8-3-2-4-9-19)24(16-20-10-5-6-11-21(20)17-24)23(27)25-22-12-7-15-28-18-22/h2-6,8-11,22H,7,12-18H2,1H3,(H,25,27)/t22-/m0/s1.
What are the key properties of 2-[methyl(2-phenylethyl)amino]-N-[(3S)-oxan-3-yl]-1,3-dihydroindene-2-carboxamide?
2-[methyl(2-phenylethyl)amino]-N-[(3S)-oxan-3-yl]-1,3-dihydroindene-2-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-phenylethyl)amino]-N-[(3S)-oxan-3-yl]-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 95712632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).