1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(1-propylindol-6-yl)urea

C19H27N3O3 — CID 111474965

IUPAC1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(1-propylindol-6-yl)urea
SMILESCCCn1ccc2ccc(NC(=O)NCC(O)COCC3CC3)cc21
InChIInChI=1S/C19H27N3O3/c1-2-8-22-9-7-15-5-6-16(10-18(15)22)21-19(24)20-11-17(23)13-25-12-14-3-4-14/h5-7,9-10,14,17,23H,2-4,8,11-13H2,1H3,(H2,20,21,24)
InChIKeyGRQWXTYHLFZQHM-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.96
Rot. Bonds9

About 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(1-propylindol-6-yl)urea

1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(1-propylindol-6-yl)urea (PubChem CID 111474965) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(1-propylindol-6-yl)urea.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(1-propylindol-6-yl)urea
PubChem CID111474965
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(1-propylindol-6-yl)urea
SMILESCCCn1ccc2ccc(NC(=O)NCC(O)COCC3CC3)cc21
InChIInChI=1S/C19H27N3O3/c1-2-8-22-9-7-15-5-6-16(10-18(15)22)21-19(24)20-11-17(23)13-25-12-14-3-4-14/h5-7,9-10,14,17,23H,2-4,8,11-13H2,1H3,(H2,20,21,24)
InChIKeyGRQWXTYHLFZQHM-UHFFFAOYSA-N
XLogP2.96
TPSA75.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(1-propylindol-6-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-hydroxy-3-methoxypropyl)-3-(1-propylindol-6-yl)urea
CID 111474971
1-(1-ethylindol-6-yl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea
CID 111474953
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-ethylphenyl)urea
CID 111103447
1-(4-hydroxy-2-methylbutyl)-3-(1-propylindol-6-yl)urea
CID 111474973
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 111103548
1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-fluorophenyl)urea
CID 94801888
1-(3-chlorophenyl)-3-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 94800612
1-(4-cyanophenyl)-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 94798536
1-(4-cyanophenyl)-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 47090168
1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 94797817
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(2,4,6-trimethylphenyl)urea
CID 111103394
2-methyl-3-(methylamino)-N-(1-propylindol-6-yl)propanamide;hydrochloride
CID 119797080

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(1-propylindol-6-yl)urea?
The IUPAC name of 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(1-propylindol-6-yl)urea (CID 111474965) is 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(1-propylindol-6-yl)urea.
What is the SMILES notation for 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(1-propylindol-6-yl)urea?
The canonical SMILES for 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(1-propylindol-6-yl)urea is CCCn1ccc2ccc(NC(=O)NCC(O)COCC3CC3)cc21.
What is the InChIKey of 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(1-propylindol-6-yl)urea?
The InChIKey is GRQWXTYHLFZQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-2-8-22-9-7-15-5-6-16(10-18(15)22)21-19(24)20-11-17(23)13-25-12-14-3-4-14/h5-7,9-10,14,17,23H,2-4,8,11-13H2,1H3,(H2,20,21,24).
What are the key properties of 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(1-propylindol-6-yl)urea?
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(1-propylindol-6-yl)urea has a molecular weight of 345.44 g/mol, XLogP of 2.96, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(1-propylindol-6-yl)urea is sourced from PubChem (CID 111474965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).