1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea

C17H25N3O2 — CID 111506685

IUPAC1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
SMILESCc1cccc2c(CCNC(=O)NC(C)C(C)CO)c[nH]c12
InChIInChI=1S/C17H25N3O2/c1-11-5-4-6-15-14(9-19-16(11)15)7-8-18-17(22)20-13(3)12(2)10-21/h4-6,9,12-13,19,21H,7-8,10H2,1-3H3,(H2,18,20,22)
InChIKeyDCERQPHXVCUYNB-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.33
Rot. Bonds6

About 1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea

1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea (PubChem CID 111506685) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
PubChem CID111506685
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
SMILESCc1cccc2c(CCNC(=O)NC(C)C(C)CO)c[nH]c12
InChIInChI=1S/C17H25N3O2/c1-11-5-4-6-15-14(9-19-16(11)15)7-8-18-17(22)20-13(3)12(2)10-21/h4-6,9,12-13,19,21H,7-8,10H2,1-3H3,(H2,18,20,22)
InChIKeyDCERQPHXVCUYNB-UHFFFAOYSA-N
XLogP2.33
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea with MolForge

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Related Compounds

1-(3-hydroxypropyl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
CID 111507161
1-(4-hydroxy-3-methylbutan-2-yl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111455373
4-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoylamino]butanoic acid
CID 122003467
1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-[3-[(S)-methylsulfinyl]propyl]urea
CID 97318805
N-[(2R,3R)-4-hydroxy-3-methylsulfanylbutan-2-yl]-3-(7-methyl-1H-indol-3-yl)propanamide
CID 97235958
1-[(2S)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
CID 124726945
N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119781349
2-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)guanidine
CID 111781710
5-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]furan-2-carboxylic acid
CID 167925600
3-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide
CID 119951412
1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 111443445
N-[2-(7-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 119322310

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea (CID 111506685) is 1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea is Cc1cccc2c(CCNC(=O)NC(C)C(C)CO)c[nH]c12.
What is the InChIKey of 1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea?
The InChIKey is DCERQPHXVCUYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-11-5-4-6-15-14(9-19-16(11)15)7-8-18-17(22)20-13(3)12(2)10-21/h4-6,9,12-13,19,21H,7-8,10H2,1-3H3,(H2,18,20,22).
What are the key properties of 1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea?
1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea has a molecular weight of 303.41 g/mol, XLogP of 2.33, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 111506685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).