(3S)-3-methyl-N-[(2S)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-2,3-dihydroindole-1-carboxamide

C18H26N2O3 — CID 97094670

IUPAC(3S)-3-methyl-N-[(2S)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-2,3-dihydroindole-1-carboxamide
SMILESC[C@H](CNC(=O)N1C[C@@H](C)c2ccccc21)CC1(C)OCCO1
InChIInChI=1S/C18H26N2O3/c1-13(10-18(3)22-8-9-23-18)11-19-17(21)20-12-14(2)15-6-4-5-7-16(15)20/h4-7,13-14H,8-12H2,1-3H3,(H,19,21)/t13-,14+/m0/s1
InChIKeyAIAWORJWGGORQR-UONOGXRCSA-N
MW318.42 g/mol
LogP3.11
Rot. Bonds4

About (3S)-3-methyl-N-[(2S)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-2,3-dihydroindole-1-carboxamide

(3S)-3-methyl-N-[(2S)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 97094670) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (3S)-3-methyl-N-[(2S)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-methyl-N-[(2S)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-2,3-dihydroindole-1-carboxamide
PubChem CID97094670
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(3S)-3-methyl-N-[(2S)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-2,3-dihydroindole-1-carboxamide
SMILESC[C@H](CNC(=O)N1C[C@@H](C)c2ccccc21)CC1(C)OCCO1
InChIInChI=1S/C18H26N2O3/c1-13(10-18(3)22-8-9-23-18)11-19-17(21)20-12-14(2)15-6-4-5-7-16(15)20/h4-7,13-14H,8-12H2,1-3H3,(H,19,21)/t13-,14+/m0/s1
InChIKeyAIAWORJWGGORQR-UONOGXRCSA-N
XLogP3.11
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-N-[(2S)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of (3S)-3-methyl-N-[(2S)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-2,3-dihydroindole-1-carboxamide (CID 97094670) is (3S)-3-methyl-N-[(2S)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for (3S)-3-methyl-N-[(2S)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for (3S)-3-methyl-N-[(2S)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-2,3-dihydroindole-1-carboxamide is C[C@H](CNC(=O)N1C[C@@H](C)c2ccccc21)CC1(C)OCCO1.
What is the InChIKey of (3S)-3-methyl-N-[(2S)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is AIAWORJWGGORQR-UONOGXRCSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13(10-18(3)22-8-9-23-18)11-19-17(21)20-12-14(2)15-6-4-5-7-16(15)20/h4-7,13-14H,8-12H2,1-3H3,(H,19,21)/t13-,14+/m0/s1.
What are the key properties of (3S)-3-methyl-N-[(2S)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-2,3-dihydroindole-1-carboxamide?
(3S)-3-methyl-N-[(2S)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-N-[(2S)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 97094670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).