1-(3-hydroxybutyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea

C16H25N3O2 — CID 111337321

IUPAC1-(3-hydroxybutyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
SMILESCC(O)CCNC(=O)NCCN1c2ccccc2CC1C
InChIInChI=1S/C16H25N3O2/c1-12-11-14-5-3-4-6-15(14)19(12)10-9-18-16(21)17-8-7-13(2)20/h3-6,12-13,20H,7-11H2,1-2H3,(H2,17,18,21)
InChIKeyTUQHJLMBHPJUMT-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.51
Rot. Bonds6

About 1-(3-hydroxybutyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea

1-(3-hydroxybutyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea (PubChem CID 111337321) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-(3-hydroxybutyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-hydroxybutyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
PubChem CID111337321
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name1-(3-hydroxybutyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
SMILESCC(O)CCNC(=O)NCCN1c2ccccc2CC1C
InChIInChI=1S/C16H25N3O2/c1-12-11-14-5-3-4-6-15(14)19(12)10-9-18-16(21)17-8-7-13(2)20/h3-6,12-13,20H,7-11H2,1-2H3,(H2,17,18,21)
InChIKeyTUQHJLMBHPJUMT-UHFFFAOYSA-N
XLogP1.51
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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
(2S)-2-amino-3,3-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]butanamide;dihydrochloride
CID 119868408
1-(1,4-dioxan-2-ylmethyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
CID 71936152
1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
CID 111505408
2-amino-2-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]propanamide;dihydrochloride
CID 119868382
2-tert-butylsulfanyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]acetamide
CID 60599554
1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-methylpropyl)guanidine
CID 111088779
2-(carbamoylamino)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-methylsulfanylbutanamide
CID 60599449
4-(2-methyl-2,3-dihydroindol-1-yl)butanamide
CID 82040812
trans-(1R,3R)-3-amino-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]cyclopentane-1-carboxamide
CID 124688900
cis-(1R,3S)-3-amino-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]cyclopentane-1-carboxamide
CID 125120867

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxybutyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea?
The IUPAC name of 1-(3-hydroxybutyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea (CID 111337321) is 1-(3-hydroxybutyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea.
What is the SMILES notation for 1-(3-hydroxybutyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea?
The canonical SMILES for 1-(3-hydroxybutyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea is CC(O)CCNC(=O)NCCN1c2ccccc2CC1C.
What is the InChIKey of 1-(3-hydroxybutyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea?
The InChIKey is TUQHJLMBHPJUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-11-14-5-3-4-6-15(14)19(12)10-9-18-16(21)17-8-7-13(2)20/h3-6,12-13,20H,7-11H2,1-2H3,(H2,17,18,21).
What are the key properties of 1-(3-hydroxybutyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea?
1-(3-hydroxybutyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea has a molecular weight of 291.40 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxybutyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea is sourced from PubChem (CID 111337321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).