1-(cyclopropylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)phenyl]urea

C17H25N3O2 — CID 51085659

IUPAC1-(cyclopropylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)phenyl]urea
SMILESCC1CN(c2ccccc2NC(=O)NCC2CC2)CC(C)O1
InChIInChI=1S/C17H25N3O2/c1-12-10-20(11-13(2)22-12)16-6-4-3-5-15(16)19-17(21)18-9-14-7-8-14/h3-6,12-14H,7-11H2,1-2H3,(H2,18,19,21)
InChIKeyRJWNACAMMQPRIL-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.83
Rot. Bonds4

About 1-(cyclopropylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)phenyl]urea

1-(cyclopropylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)phenyl]urea (PubChem CID 51085659) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)phenyl]urea
PubChem CID51085659
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-(cyclopropylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)phenyl]urea
SMILESCC1CN(c2ccccc2NC(=O)NCC2CC2)CC(C)O1
InChIInChI=1S/C17H25N3O2/c1-12-10-20(11-13(2)22-12)16-6-4-3-5-15(16)19-17(21)18-9-14-7-8-14/h3-6,12-14H,7-11H2,1-2H3,(H2,18,19,21)
InChIKeyRJWNACAMMQPRIL-UHFFFAOYSA-N
XLogP2.83
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-propylurea
CID 94154582
1-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-methoxypropyl)urea
CID 51085655
1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]urea
CID 98723402
1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(4-hydroxyphenyl)urea
CID 124618726
1-(cyclopropylmethyl)-3-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea
CID 94336075
1-[(2R)-3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea
CID 98800991
N'-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-[(2R)-2-hydroxypropyl]oxamide
CID 94444100
1-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-ethyl-2-pyrrolidin-1-ylpentyl)urea
CID 51119015
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2-ethylsulfonylacetamide
CID 94469385
(2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-2-methylmorpholine-4-carboxamide
CID 94154647
3-amino-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119845961
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 124729841

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)phenyl]urea?
The IUPAC name of 1-(cyclopropylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)phenyl]urea (CID 51085659) is 1-(cyclopropylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)phenyl]urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)phenyl]urea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)phenyl]urea is CC1CN(c2ccccc2NC(=O)NCC2CC2)CC(C)O1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)phenyl]urea?
The InChIKey is RJWNACAMMQPRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12-10-20(11-13(2)22-12)16-6-4-3-5-15(16)19-17(21)18-9-14-7-8-14/h3-6,12-14H,7-11H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-(cyclopropylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)phenyl]urea?
1-(cyclopropylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)phenyl]urea has a molecular weight of 303.41 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)phenyl]urea is sourced from PubChem (CID 51085659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).