1-cyclohexyl-3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]urea

C16H29N3O3 — CID 18152043

IUPAC1-cyclohexyl-3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]urea
SMILESCC1CN(C(=O)CCNC(=O)NC2CCCCC2)CC(C)O1
InChIInChI=1S/C16H29N3O3/c1-12-10-19(11-13(2)22-12)15(20)8-9-17-16(21)18-14-6-4-3-5-7-14/h12-14H,3-11H2,1-2H3,(H2,17,18,21)
InChIKeyWJCPFFBVOJWPOJ-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.64
Rot. Bonds4

About 1-cyclohexyl-3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]urea

1-cyclohexyl-3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]urea (PubChem CID 18152043) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-cyclohexyl-3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]urea
PubChem CID18152043
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name1-cyclohexyl-3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]urea
SMILESCC1CN(C(=O)CCNC(=O)NC2CCCCC2)CC(C)O1
InChIInChI=1S/C16H29N3O3/c1-12-10-19(11-13(2)22-12)15(20)8-9-17-16(21)18-14-6-4-3-5-7-14/h12-14H,3-11H2,1-2H3,(H2,17,18,21)
InChIKeyWJCPFFBVOJWPOJ-UHFFFAOYSA-N
XLogP1.64
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclohexylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 18157282
3-(cyclohexylcarbamoylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide
CID 46417626
N-cyclohexyl-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
CID 108503876
1-[4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-4-oxobutyl]-3-cyclohexylurea;hydrochloride
CID 120656749
ethyl 3-(cyclohexylcarbamoylamino)propanoate
CID 61173677
1-cyclohexyl-3-[2-(ethylamino)ethyl]urea
CID 62663846
1-cyclohexyl-3-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]urea
CID 46588795
1-[4-(cyclohexylcarbamoylamino)butanoyl]pyrrolidine-3-carboxylic acid
CID 119354504
1-cyclohexyl-3-[4-(1,4-diazepan-1-yl)-4-oxobutyl]urea
CID 119415459
1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)urea
CID 60601131
N-cyclooctyl-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2446989
1-[4-[(3R)-3-aminopyrrolidin-1-yl]-4-oxobutyl]-3-cyclohexylurea;hydrochloride
CID 119410465

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]urea?
The IUPAC name of 1-cyclohexyl-3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]urea (CID 18152043) is 1-cyclohexyl-3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]urea is CC1CN(C(=O)CCNC(=O)NC2CCCCC2)CC(C)O1.
What is the InChIKey of 1-cyclohexyl-3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]urea?
The InChIKey is WJCPFFBVOJWPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-12-10-19(11-13(2)22-12)15(20)8-9-17-16(21)18-14-6-4-3-5-7-14/h12-14H,3-11H2,1-2H3,(H2,17,18,21).
What are the key properties of 1-cyclohexyl-3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]urea?
1-cyclohexyl-3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]urea has a molecular weight of 311.43 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]urea is sourced from PubChem (CID 18152043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).