2-[2-(dimethylamino)ethoxy]ethyl N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]carbamate

C23H26N4O3 — CID 18415966

IUPAC2-[2-(dimethylamino)ethoxy]ethyl N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]carbamate
SMILESCN(C)CCOCCOC(=O)Nc1ccc(-c2n[nH]c3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C23H26N4O3/c1-27(2)11-12-29-13-14-30-23(28)24-18-9-7-16(8-10-18)21-20-15-17-5-3-4-6-19(17)22(20)26-25-21/h3-10H,11-15H2,1-2H3,(H,24,28)(H,25,26)
InChIKeySAPPSFYRPKHHBM-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.77
Rot. Bonds8

About 2-[2-(dimethylamino)ethoxy]ethyl N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]carbamate

2-[2-(dimethylamino)ethoxy]ethyl N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]carbamate (PubChem CID 18415966) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]ethyl N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]carbamate.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]ethyl N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]carbamate
PubChem CID18415966
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name2-[2-(dimethylamino)ethoxy]ethyl N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]carbamate
SMILESCN(C)CCOCCOC(=O)Nc1ccc(-c2n[nH]c3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C23H26N4O3/c1-27(2)11-12-29-13-14-30-23(28)24-18-9-7-16(8-10-18)21-20-15-17-5-3-4-6-19(17)22(20)26-25-21/h3-10H,11-15H2,1-2H3,(H,24,28)(H,25,26)
InChIKeySAPPSFYRPKHHBM-UHFFFAOYSA-N
XLogP3.77
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]ethyl N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]carbamate?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]ethyl N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]carbamate (CID 18415966) is 2-[2-(dimethylamino)ethoxy]ethyl N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]carbamate.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]ethyl N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]carbamate?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]ethyl N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]carbamate is CN(C)CCOCCOC(=O)Nc1ccc(-c2n[nH]c3c2Cc2ccccc2-3)cc1.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]ethyl N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]carbamate?
The InChIKey is SAPPSFYRPKHHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-27(2)11-12-29-13-14-30-23(28)24-18-9-7-16(8-10-18)21-20-15-17-5-3-4-6-19(17)22(20)26-25-21/h3-10H,11-15H2,1-2H3,(H,24,28)(H,25,26).
What are the key properties of 2-[2-(dimethylamino)ethoxy]ethyl N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]carbamate?
2-[2-(dimethylamino)ethoxy]ethyl N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]carbamate has a molecular weight of 406.49 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]ethyl N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]carbamate is sourced from PubChem (CID 18415966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).