1-cyclohexyl-3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylurea

C19H25N3O3 — CID 108889348

IUPAC1-cyclohexyl-3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylurea
SMILESCN(C(=O)NCCCN1C(=O)c2ccccc2C1=O)C1CCCCC1
InChIInChI=1S/C19H25N3O3/c1-21(14-8-3-2-4-9-14)19(25)20-12-7-13-22-17(23)15-10-5-6-11-16(15)18(22)24/h5-6,10-11,14H,2-4,7-9,12-13H2,1H3,(H,20,25)
InChIKeyFVKNUTBYGBSEPO-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.65
Rot. Bonds5

About 1-cyclohexyl-3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylurea

1-cyclohexyl-3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylurea (PubChem CID 108889348) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-cyclohexyl-3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylurea
PubChem CID108889348
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-cyclohexyl-3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylurea
SMILESCN(C(=O)NCCCN1C(=O)c2ccccc2C1=O)C1CCCCC1
InChIInChI=1S/C19H25N3O3/c1-21(14-8-3-2-4-9-14)19(25)20-12-7-13-22-17(23)15-10-5-6-11-16(15)18(22)24/h5-6,10-11,14H,2-4,7-9,12-13H2,1H3,(H,20,25)
InChIKeyFVKNUTBYGBSEPO-UHFFFAOYSA-N
XLogP2.65
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-N-methylacetamide
CID 78786626
N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-ethylpiperidine-1-carboxamide
CID 108889482
3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1,1-bis(2-methoxyethyl)urea
CID 108889531
2-[4-(cyclopentylamino)butyl]isoindole-1,3-dione
CID 119156682
1-(1,1-dioxothiolan-3-yl)-1-methyl-3-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propyl]urea
CID 108890259
N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]cyclohexanecarboxamide
CID 108538961
N-(cyclopentylmethyl)-4-(1,3-dioxoisoindol-2-yl)-N-methylbutanamide
CID 86868528
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
ethyl N-(2-aminoethyl)-N-[3-(1,3-dioxoisoindol-2-yl)propylcarbamoyl]carbamate
CID 108889674
7-[[cycloheptyl(methyl)carbamoyl]amino]heptanoic acid
CID 61201091
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(2-methoxyethyl)urea
CID 108889356
3-(1,3-dioxoisoindol-2-yl)propyl 2-cyclohexylacetate
CID 110495090

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylurea?
The IUPAC name of 1-cyclohexyl-3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylurea (CID 108889348) is 1-cyclohexyl-3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylurea.
What is the SMILES notation for 1-cyclohexyl-3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylurea?
The canonical SMILES for 1-cyclohexyl-3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylurea is CN(C(=O)NCCCN1C(=O)c2ccccc2C1=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylurea?
The InChIKey is FVKNUTBYGBSEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-21(14-8-3-2-4-9-14)19(25)20-12-7-13-22-17(23)15-10-5-6-11-16(15)18(22)24/h5-6,10-11,14H,2-4,7-9,12-13H2,1H3,(H,20,25).
What are the key properties of 1-cyclohexyl-3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylurea?
1-cyclohexyl-3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylurea has a molecular weight of 343.43 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylurea is sourced from PubChem (CID 108889348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).