1-cyclopropyl-3-[2-(1-hydroxycyclopentyl)ethyl]-1-(1H-indol-5-ylmethyl)urea

C20H27N3O2 — CID 122562050

IUPAC1-cyclopropyl-3-[2-(1-hydroxycyclopentyl)ethyl]-1-(1H-indol-5-ylmethyl)urea
SMILESO=C(NCCC1(O)CCCC1)N(Cc1ccc2[nH]ccc2c1)C1CC1
InChIInChI=1S/C20H27N3O2/c24-19(22-12-10-20(25)8-1-2-9-20)23(17-4-5-17)14-15-3-6-18-16(13-15)7-11-21-18/h3,6-7,11,13,17,21,25H,1-2,4-5,8-10,12,14H2,(H,22,24)
InChIKeyHSTABGLQAZJUAX-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.54
Rot. Bonds6

About 1-cyclopropyl-3-[2-(1-hydroxycyclopentyl)ethyl]-1-(1H-indol-5-ylmethyl)urea

1-cyclopropyl-3-[2-(1-hydroxycyclopentyl)ethyl]-1-(1H-indol-5-ylmethyl)urea (PubChem CID 122562050) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(1-hydroxycyclopentyl)ethyl]-1-(1H-indol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(1-hydroxycyclopentyl)ethyl]-1-(1H-indol-5-ylmethyl)urea
PubChem CID122562050
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name1-cyclopropyl-3-[2-(1-hydroxycyclopentyl)ethyl]-1-(1H-indol-5-ylmethyl)urea
SMILESO=C(NCCC1(O)CCCC1)N(Cc1ccc2[nH]ccc2c1)C1CC1
InChIInChI=1S/C20H27N3O2/c24-19(22-12-10-20(25)8-1-2-9-20)23(17-4-5-17)14-15-3-6-18-16(13-15)7-11-21-18/h3,6-7,11,13,17,21,25H,1-2,4-5,8-10,12,14H2,(H,22,24)
InChIKeyHSTABGLQAZJUAX-UHFFFAOYSA-N
XLogP3.54
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methyloxolane-2-carboxamide
CID 119070678
2-bromo-N-cyclopropyl-N-(1H-indol-5-ylmethyl)benzamide
CID 39313071
1-cyclopropyl-3-(1-ethylpyrazol-4-yl)-1-(1H-indol-5-ylmethyl)urea
CID 118766067
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methoxypyrimidine-5-carboxamide
CID 119069823
cis-(1R,3S)-3-[cyclopropyl(1H-indol-5-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 74243543
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3,4,5-trimethoxybenzamide
CID 39313525
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide
CID 118789700
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 39337246
N-cyclopropyl-N-(1H-indol-6-ylmethyl)-2-methoxyacetamide
CID 39378124
1-cyclopropyl-1-(1H-indol-5-ylmethyl)-3-[1-(6-methyl-2-pyridinyl)propyl]urea
CID 131936362
N-cyclopropyl-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(1H-indol-5-ylmethyl)acetamide
CID 77094540
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2,4-dimethoxybenzamide
CID 39348998

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(1-hydroxycyclopentyl)ethyl]-1-(1H-indol-5-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-3-[2-(1-hydroxycyclopentyl)ethyl]-1-(1H-indol-5-ylmethyl)urea (CID 122562050) is 1-cyclopropyl-3-[2-(1-hydroxycyclopentyl)ethyl]-1-(1H-indol-5-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-[2-(1-hydroxycyclopentyl)ethyl]-1-(1H-indol-5-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-[2-(1-hydroxycyclopentyl)ethyl]-1-(1H-indol-5-ylmethyl)urea is O=C(NCCC1(O)CCCC1)N(Cc1ccc2[nH]ccc2c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[2-(1-hydroxycyclopentyl)ethyl]-1-(1H-indol-5-ylmethyl)urea?
The InChIKey is HSTABGLQAZJUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-19(22-12-10-20(25)8-1-2-9-20)23(17-4-5-17)14-15-3-6-18-16(13-15)7-11-21-18/h3,6-7,11,13,17,21,25H,1-2,4-5,8-10,12,14H2,(H,22,24).
What are the key properties of 1-cyclopropyl-3-[2-(1-hydroxycyclopentyl)ethyl]-1-(1H-indol-5-ylmethyl)urea?
1-cyclopropyl-3-[2-(1-hydroxycyclopentyl)ethyl]-1-(1H-indol-5-ylmethyl)urea has a molecular weight of 341.45 g/mol, XLogP of 3.54, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(1-hydroxycyclopentyl)ethyl]-1-(1H-indol-5-ylmethyl)urea is sourced from PubChem (CID 122562050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).