1-(3-hydroxypropyl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea

C15H21N3O2 — CID 111507161

IUPAC1-(3-hydroxypropyl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
SMILESCc1cccc2c(CCNC(=O)NCCCO)c[nH]c12
InChIInChI=1S/C15H21N3O2/c1-11-4-2-5-13-12(10-18-14(11)13)6-8-17-15(20)16-7-3-9-19/h2,4-5,10,18-19H,3,6-9H2,1H3,(H2,16,17,20)
InChIKeyQNAICWNABPFPRS-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.70
Rot. Bonds6

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

1-(3-hydroxypropyl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea (PubChem CID 111507161) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
PubChem CID111507161
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(3-hydroxypropyl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
SMILESCc1cccc2c(CCNC(=O)NCCCO)c[nH]c12
InChIInChI=1S/C15H21N3O2/c1-11-4-2-5-13-12(10-18-14(11)13)6-8-17-15(20)16-7-3-9-19/h2,4-5,10,18-19H,3,6-9H2,1H3,(H2,16,17,20)
InChIKeyQNAICWNABPFPRS-UHFFFAOYSA-N
XLogP1.70
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
CID 111506685
1-(3-hydroxypropyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 38155486
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CID 119781315
5-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]furan-2-carboxylic acid
CID 167925600
1-(3-hydroxypropyl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111108819
4-(7-methyl-1H-indol-3-yl)butan-2-one
CID 28806455
N-[2-(7-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 119322310
(2S)-2-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119322305
3-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide
CID 119951412
2-(2-aminoethyl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 120632210

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-(3-hydroxypropyl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea (CID 111507161) is 1-(3-hydroxypropyl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-(3-hydroxypropyl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea is Cc1cccc2c(CCNC(=O)NCCCO)c[nH]c12.
What is the InChIKey of 1-(3-hydroxypropyl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea?
The InChIKey is QNAICWNABPFPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-4-2-5-13-12(10-18-14(11)13)6-8-17-15(20)16-7-3-9-19/h2,4-5,10,18-19H,3,6-9H2,1H3,(H2,16,17,20).
What are the key properties of 1-(3-hydroxypropyl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea?
1-(3-hydroxypropyl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea has a molecular weight of 275.35 g/mol, XLogP of 1.70, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 111507161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).