1-[1-(2-cycloheptylethyl)indol-4-yl]-3-ethylurea

C20H29N3O — CID 123232363

IUPAC1-[1-(2-cycloheptylethyl)indol-4-yl]-3-ethylurea
SMILESCCNC(=O)Nc1cccc2c1ccn2CCC1CCCCCC1
InChIInChI=1S/C20H29N3O/c1-2-21-20(24)22-18-10-7-11-19-17(18)13-15-23(19)14-12-16-8-5-3-4-6-9-16/h7,10-11,13,15-16H,2-6,8-9,12,14H2,1H3,(H2,21,22,24)
InChIKeyGTCRBRNZOPRNJJ-UHFFFAOYSA-N
MW327.47 g/mol
LogP5.14
Rot. Bonds5

About 1-[1-(2-cycloheptylethyl)indol-4-yl]-3-ethylurea

1-[1-(2-cycloheptylethyl)indol-4-yl]-3-ethylurea (PubChem CID 123232363) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 1-[1-(2-cycloheptylethyl)indol-4-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[1-(2-cycloheptylethyl)indol-4-yl]-3-ethylurea
PubChem CID123232363
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name1-[1-(2-cycloheptylethyl)indol-4-yl]-3-ethylurea
SMILESCCNC(=O)Nc1cccc2c1ccn2CCC1CCCCCC1
InChIInChI=1S/C20H29N3O/c1-2-21-20(24)22-18-10-7-11-19-17(18)13-15-23(19)14-12-16-8-5-3-4-6-9-16/h7,10-11,13,15-16H,2-6,8-9,12,14H2,1H3,(H2,21,22,24)
InChIKeyGTCRBRNZOPRNJJ-UHFFFAOYSA-N
XLogP5.14
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.47
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclopentylethyl)-4-methylindole
CID 114192720
1-(2-cyclohexylethyl)-3-naphthalen-1-ylurea
CID 108888599
2-(4-acetamidoindol-1-yl)-N-cyclohexylacetamide
CID 71829005
1-(1-methylpiperidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)indol-4-yl]urea
CID 175826837
[1-(2-cyclopropylethyl)indol-4-yl]methanamine
CID 107919256
N-(cyclohexylmethyl)-2-(4-methylindol-1-yl)ethanamine
CID 63504513
6,18-bis(3-cyclohexylpropyl)-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 144783596
1-(2-cyclohexylethyl)-3-(2-hydroxyphenyl)urea
CID 108888519
3-cyclohexyl-N-[5-(3-cyclohexylpropanoylamino)naphthalen-1-yl]propanamide
CID 27126992
1-(1-methylindol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea
CID 46208984
1-(2-cyclohexylethyl)-3-(2,3-dichlorophenyl)urea
CID 108888463
1-(cyclohexylmethyl)indole-4-carboxylic acid
CID 43316618

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-cycloheptylethyl)indol-4-yl]-3-ethylurea?
The IUPAC name of 1-[1-(2-cycloheptylethyl)indol-4-yl]-3-ethylurea (CID 123232363) is 1-[1-(2-cycloheptylethyl)indol-4-yl]-3-ethylurea.
What is the SMILES notation for 1-[1-(2-cycloheptylethyl)indol-4-yl]-3-ethylurea?
The canonical SMILES for 1-[1-(2-cycloheptylethyl)indol-4-yl]-3-ethylurea is CCNC(=O)Nc1cccc2c1ccn2CCC1CCCCCC1.
What is the InChIKey of 1-[1-(2-cycloheptylethyl)indol-4-yl]-3-ethylurea?
The InChIKey is GTCRBRNZOPRNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-2-21-20(24)22-18-10-7-11-19-17(18)13-15-23(19)14-12-16-8-5-3-4-6-9-16/h7,10-11,13,15-16H,2-6,8-9,12,14H2,1H3,(H2,21,22,24).
What are the key properties of 1-[1-(2-cycloheptylethyl)indol-4-yl]-3-ethylurea?
1-[1-(2-cycloheptylethyl)indol-4-yl]-3-ethylurea has a molecular weight of 327.47 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-cycloheptylethyl)indol-4-yl]-3-ethylurea is sourced from PubChem (CID 123232363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).