1-(1,4-dioxan-2-ylmethyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea

C17H25N3O3 — CID 71936152

IUPAC1-(1,4-dioxan-2-ylmethyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
SMILESCC1Cc2ccccc2N1CCNC(=O)NCC1COCCO1
InChIInChI=1S/C17H25N3O3/c1-13-10-14-4-2-3-5-16(14)20(13)7-6-18-17(21)19-11-15-12-22-8-9-23-15/h2-5,13,15H,6-12H2,1H3,(H2,18,19,21)
InChIKeyUNMLZPQKZQIZJE-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.15
Rot. Bonds5

About 1-(1,4-dioxan-2-ylmethyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea

1-(1,4-dioxan-2-ylmethyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea (PubChem CID 71936152) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-ylmethyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(1,4-dioxan-2-ylmethyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
PubChem CID71936152
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name1-(1,4-dioxan-2-ylmethyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
SMILESCC1Cc2ccccc2N1CCNC(=O)NCC1COCCO1
InChIInChI=1S/C17H25N3O3/c1-13-10-14-4-2-3-5-16(14)20(13)7-6-18-17(21)19-11-15-12-22-8-9-23-15/h2-5,13,15H,6-12H2,1H3,(H2,18,19,21)
InChIKeyUNMLZPQKZQIZJE-UHFFFAOYSA-N
XLogP1.15
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-hydroxybutyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
CID 111337321
1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
CID 111505408
2-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62575568
2-amino-2-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]propanamide;dihydrochloride
CID 119868382
1-[(4-methoxyphenyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
CID 78885927
N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 155947049
2-tert-butylsulfanyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]acetamide
CID 60599554
N-(cyclopropylmethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine
CID 60866414
(2S)-2-amino-3,3-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]butanamide;dihydrochloride
CID 119868408
2-(2-fluorophenyl)-2-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]propanamide
CID 60616325
1-cyano-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]cyclopentane-1-carboxamide
CID 60599448
2-(2,3-dihydro-1H-inden-2-yl)-N-(1,4-dioxan-2-ylmethyl)acetamide
CID 91828550

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-ylmethyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea?
The IUPAC name of 1-(1,4-dioxan-2-ylmethyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea (CID 71936152) is 1-(1,4-dioxan-2-ylmethyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea.
What is the SMILES notation for 1-(1,4-dioxan-2-ylmethyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea?
The canonical SMILES for 1-(1,4-dioxan-2-ylmethyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea is CC1Cc2ccccc2N1CCNC(=O)NCC1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-ylmethyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea?
The InChIKey is UNMLZPQKZQIZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-13-10-14-4-2-3-5-16(14)20(13)7-6-18-17(21)19-11-15-12-22-8-9-23-15/h2-5,13,15H,6-12H2,1H3,(H2,18,19,21).
What are the key properties of 1-(1,4-dioxan-2-ylmethyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea?
1-(1,4-dioxan-2-ylmethyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea has a molecular weight of 319.41 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-ylmethyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea is sourced from PubChem (CID 71936152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).