3-cyclohexyl-1-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-methylurea

C18H26N2O2 — CID 90635862

IUPAC3-cyclohexyl-1-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-methylurea
SMILESCN(CC1Cc2ccccc2CO1)C(=O)NC1CCCCC1
InChIInChI=1S/C18H26N2O2/c1-20(18(21)19-16-9-3-2-4-10-16)12-17-11-14-7-5-6-8-15(14)13-22-17/h5-8,16-17H,2-4,9-13H2,1H3,(H,19,21)
InChIKeyVYFCHBCRDDNDDP-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.10
Rot. Bonds3

About 3-cyclohexyl-1-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-methylurea

3-cyclohexyl-1-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-methylurea (PubChem CID 90635862) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-cyclohexyl-1-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-methylurea.

Molecular Properties

Compound Name3-cyclohexyl-1-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-methylurea
PubChem CID90635862
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3-cyclohexyl-1-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-methylurea
SMILESCN(CC1Cc2ccccc2CO1)C(=O)NC1CCCCC1
InChIInChI=1S/C18H26N2O2/c1-20(18(21)19-16-9-3-2-4-10-16)12-17-11-14-7-5-6-8-15(14)13-22-17/h5-8,16-17H,2-4,9-13H2,1H3,(H,19,21)
InChIKeyVYFCHBCRDDNDDP-UHFFFAOYSA-N
XLogP3.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-methyl-3-propylurea
CID 90635908
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,2-dimethylpropanamide
CID 90635601
1-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-methyl-3-naphthalen-1-ylurea
CID 90635907
3-(3,4-dichlorophenyl)-1-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-methylurea
CID 90635868
1-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]-3-[(4-methoxyphenyl)methyl]-1-methylurea
CID 100752406
1-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-[(4-methoxyphenyl)methyl]-1-methylurea
CID 91626598
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-2,2-diphenylacetamide
CID 90635704
2-chloro-N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methylbenzamide
CID 90635647
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyloxolane-3-carboxamide
CID 90635825
3-cyclohexyl-1-methyl-1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 42790421
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 90635759
benzyl N-[2-[3,4-dihydro-1H-isochromen-3-ylmethyl(methyl)amino]-2-oxoethyl]carbamate
CID 90635787

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-methylurea?
The IUPAC name of 3-cyclohexyl-1-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-methylurea (CID 90635862) is 3-cyclohexyl-1-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-methylurea.
What is the SMILES notation for 3-cyclohexyl-1-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-methylurea?
The canonical SMILES for 3-cyclohexyl-1-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-methylurea is CN(CC1Cc2ccccc2CO1)C(=O)NC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-methylurea?
The InChIKey is VYFCHBCRDDNDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-20(18(21)19-16-9-3-2-4-10-16)12-17-11-14-7-5-6-8-15(14)13-22-17/h5-8,16-17H,2-4,9-13H2,1H3,(H,19,21).
What are the key properties of 3-cyclohexyl-1-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-methylurea?
3-cyclohexyl-1-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-methylurea has a molecular weight of 302.42 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-methylurea is sourced from PubChem (CID 90635862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).