1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-propylurea

C16H25N3O2 — CID 94154582

IUPAC1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C16H25N3O2/c1-4-9-17-16(20)18-14-7-5-6-8-15(14)19-10-12(2)21-13(3)11-19/h5-8,12-13H,4,9-11H2,1-3H3,(H2,17,18,20)/t12-,13+
InChIKeyOLRZXIHTLPPKAD-BETUJISGSA-N
MW291.40 g/mol
LogP2.83
Rot. Bonds4

About 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-propylurea

1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-propylurea (PubChem CID 94154582) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-propylurea.

Molecular Properties

Compound Name1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-propylurea
PubChem CID94154582
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C16H25N3O2/c1-4-9-17-16(20)18-14-7-5-6-8-15(14)19-10-12(2)21-13(3)11-19/h5-8,12-13H,4,9-11H2,1-3H3,(H2,17,18,20)/t12-,13+
InChIKeyOLRZXIHTLPPKAD-BETUJISGSA-N
XLogP2.83
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-propylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-methoxypropyl)urea
CID 51085655
1-(cyclopropylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)phenyl]urea
CID 51085659
1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]urea
CID 98723402
1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea
CID 47107994
1-(2-morpholin-4-ylphenyl)-3-propylurea
CID 110755134
1-[2-(azepan-1-yl)phenyl]-3-propylurea
CID 47201899
1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(4-hydroxyphenyl)urea
CID 124618726
1-[(2R)-3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea
CID 98800991
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2-ethylsulfonylacetamide
CID 94469385
1-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-ethyl-2-pyrrolidin-1-ylpentyl)urea
CID 51119015
N'-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-[(2R)-2-hydroxypropyl]oxamide
CID 94444100
3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1-[(2-hydroxyphenyl)methyl]-1-methylurea
CID 94154697

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-propylurea?
The IUPAC name of 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-propylurea (CID 94154582) is 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-propylurea.
What is the SMILES notation for 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-propylurea?
The canonical SMILES for 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-propylurea is CCCNC(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-propylurea?
The InChIKey is OLRZXIHTLPPKAD-BETUJISGSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-9-17-16(20)18-14-7-5-6-8-15(14)19-10-12(2)21-13(3)11-19/h5-8,12-13H,4,9-11H2,1-3H3,(H2,17,18,20)/t12-,13+.
What are the key properties of 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-propylurea?
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-propylurea has a molecular weight of 291.40 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-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-propylurea is sourced from PubChem (CID 94154582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).