1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methyl-3-(1-methylindol-6-yl)urea

C16H23N3O3 — CID 99820657

IUPAC1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methyl-3-(1-methylindol-6-yl)urea
SMILESCN(CC(C)(CO)CO)C(=O)Nc1ccc2ccn(C)c2c1
InChIInChI=1S/C16H23N3O3/c1-16(10-20,11-21)9-19(3)15(22)17-13-5-4-12-6-7-18(2)14(12)8-13/h4-8,20-21H,9-11H2,1-3H3,(H,17,22)
InChIKeyACLWIHKSWPERLL-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.63
Rot. Bonds5

About 1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methyl-3-(1-methylindol-6-yl)urea

1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methyl-3-(1-methylindol-6-yl)urea (PubChem CID 99820657) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methyl-3-(1-methylindol-6-yl)urea.

Molecular Properties

Compound Name1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methyl-3-(1-methylindol-6-yl)urea
PubChem CID99820657
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methyl-3-(1-methylindol-6-yl)urea
SMILESCN(CC(C)(CO)CO)C(=O)Nc1ccc2ccn(C)c2c1
InChIInChI=1S/C16H23N3O3/c1-16(10-20,11-21)9-19(3)15(22)17-13-5-4-12-6-7-18(2)14(12)8-13/h4-8,20-21H,9-11H2,1-3H3,(H,17,22)
InChIKeyACLWIHKSWPERLL-UHFFFAOYSA-N
XLogP1.63
TPSA77.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-ethylindol-6-yl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 111754908
1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(1-propylindol-5-yl)urea
CID 111926333
3-(9H-fluoren-2-yl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea
CID 75470123
N-tert-butyl-1-methylindol-6-amine
CID 146573686
N-(3-hydroxy-2-methylpropyl)-N'-(1-methylindol-6-yl)oxamide
CID 111490459
N-(3-hydroxybutyl)-N'-(1-methylindol-6-yl)oxamide
CID 111490510
2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-methylpropanamide
CID 119891239
methyl 5-[(1-methylindol-6-yl)amino]-5-oxopentanoate
CID 75485035
3-amino-3-methyl-N-(1-methylindol-5-yl)butanamide
CID 110838357
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-methylindol-6-yl)urea
CID 99819593
N-[(1-methylindol-6-yl)amino]formamide
CID 174642732
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-N'-(1-methylindol-6-yl)oxamide
CID 111798853

Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methyl-3-(1-methylindol-6-yl)urea?
The IUPAC name of 1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methyl-3-(1-methylindol-6-yl)urea (CID 99820657) is 1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methyl-3-(1-methylindol-6-yl)urea.
What is the SMILES notation for 1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methyl-3-(1-methylindol-6-yl)urea?
The canonical SMILES for 1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methyl-3-(1-methylindol-6-yl)urea is CN(CC(C)(CO)CO)C(=O)Nc1ccc2ccn(C)c2c1.
What is the InChIKey of 1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methyl-3-(1-methylindol-6-yl)urea?
The InChIKey is ACLWIHKSWPERLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-16(10-20,11-21)9-19(3)15(22)17-13-5-4-12-6-7-18(2)14(12)8-13/h4-8,20-21H,9-11H2,1-3H3,(H,17,22).
What are the key properties of 1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methyl-3-(1-methylindol-6-yl)urea?
1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methyl-3-(1-methylindol-6-yl)urea has a molecular weight of 305.38 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methyl-3-(1-methylindol-6-yl)urea is sourced from PubChem (CID 99820657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).