3-cyclohexyl-1-(1H-indol-3-ylmethyl)-1-methylurea

C17H23N3O — CID 110749007

IUPAC3-cyclohexyl-1-(1H-indol-3-ylmethyl)-1-methylurea
SMILESCN(Cc1c[nH]c2ccccc12)C(=O)NC1CCCCC1
InChIInChI=1S/C17H23N3O/c1-20(17(21)19-14-7-3-2-4-8-14)12-13-11-18-16-10-6-5-9-15(13)16/h5-6,9-11,14,18H,2-4,7-8,12H2,1H3,(H,19,21)
InChIKeyQKCUNWJGCZKANB-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.64
Rot. Bonds3

About 3-cyclohexyl-1-(1H-indol-3-ylmethyl)-1-methylurea

3-cyclohexyl-1-(1H-indol-3-ylmethyl)-1-methylurea (PubChem CID 110749007) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-cyclohexyl-1-(1H-indol-3-ylmethyl)-1-methylurea.

Molecular Properties

Compound Name3-cyclohexyl-1-(1H-indol-3-ylmethyl)-1-methylurea
PubChem CID110749007
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-cyclohexyl-1-(1H-indol-3-ylmethyl)-1-methylurea
SMILESCN(Cc1c[nH]c2ccccc12)C(=O)NC1CCCCC1
InChIInChI=1S/C17H23N3O/c1-20(17(21)19-14-7-3-2-4-8-14)12-13-11-18-16-10-6-5-9-15(13)16/h5-6,9-11,14,18H,2-4,7-8,12H2,1H3,(H,19,21)
InChIKeyQKCUNWJGCZKANB-UHFFFAOYSA-N
XLogP3.64
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-tert-butyl-1-(1H-indol-3-ylmethyl)-1-methylurea
CID 110749012
N-cyclopentyl-1-[[2-(1H-indol-3-yl)acetyl]-methylamino]cyclohexane-1-carboxamide
CID 4992266
N-cyclohexyl-5-(1H-indol-3-yl)pentanamide
CID 140983117
3-cyclohexyl-1-methyl-1-(1H-pyrrol-2-ylmethyl)urea
CID 124509076
N-[2-(cyclopentylamino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 112990882
N-cyclooctyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 50955220
(2S)-2-amino-N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 119956327
(2R)-N-cyclopentyl-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-methylbutanamide
CID 7012221
[(Z)-[1-amino-2-(1H-indol-3-yl)ethylidene]amino] N-cyclohexylcarbamate
CID 134107242
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7259091
methyl 2-[1H-indol-3-ylmethyl(methyl)amino]-2-oxoacetate
CID 115142476
N-cyclohexyl-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide
CID 113152451

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(1H-indol-3-ylmethyl)-1-methylurea?
The IUPAC name of 3-cyclohexyl-1-(1H-indol-3-ylmethyl)-1-methylurea (CID 110749007) is 3-cyclohexyl-1-(1H-indol-3-ylmethyl)-1-methylurea.
What is the SMILES notation for 3-cyclohexyl-1-(1H-indol-3-ylmethyl)-1-methylurea?
The canonical SMILES for 3-cyclohexyl-1-(1H-indol-3-ylmethyl)-1-methylurea is CN(Cc1c[nH]c2ccccc12)C(=O)NC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-(1H-indol-3-ylmethyl)-1-methylurea?
The InChIKey is QKCUNWJGCZKANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-20(17(21)19-14-7-3-2-4-8-14)12-13-11-18-16-10-6-5-9-15(13)16/h5-6,9-11,14,18H,2-4,7-8,12H2,1H3,(H,19,21).
What are the key properties of 3-cyclohexyl-1-(1H-indol-3-ylmethyl)-1-methylurea?
3-cyclohexyl-1-(1H-indol-3-ylmethyl)-1-methylurea has a molecular weight of 285.39 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(1H-indol-3-ylmethyl)-1-methylurea is sourced from PubChem (CID 110749007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).