1-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-3-propylurea

C16H25N3O2 — CID 110637567

IUPAC1-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1ccc(N2C(C)COCC2C)cc1
InChIInChI=1S/C16H25N3O2/c1-4-9-17-16(20)18-14-5-7-15(8-6-14)19-12(2)10-21-11-13(19)3/h5-8,12-13H,4,9-11H2,1-3H3,(H2,17,18,20)
InChIKeyWSMWPWIMTWFAEN-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.83
Rot. Bonds4

About 1-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-3-propylurea

1-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-3-propylurea (PubChem CID 110637567) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-3-propylurea.

Molecular Properties

Compound Name1-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-3-propylurea
PubChem CID110637567
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name1-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1ccc(N2C(C)COCC2C)cc1
InChIInChI=1S/C16H25N3O2/c1-4-9-17-16(20)18-14-5-7-15(8-6-14)19-12(2)10-21-11-13(19)3/h5-8,12-13H,4,9-11H2,1-3H3,(H2,17,18,20)
InChIKeyWSMWPWIMTWFAEN-UHFFFAOYSA-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

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Related Compounds

N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]acetamide
CID 110637499
1-(4-morpholin-4-ylphenyl)-3-propylurea
CID 2788991
N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-2-fluorobenzamide
CID 110637516
N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-phenoxybutanamide
CID 110637540
1-[4-[4-(ethylsulfonylmethyl)-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenyl]-3-propylurea
CID 71031466
1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(2-ethoxyethyl)urea
CID 94336084
1-(1,3-benzodioxol-5-yl)-3-propylurea
CID 58748931
1-[4-(2-aminoethoxy)phenyl]-3-propylurea
CID 43175658
1-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-3-propylurea
CID 102256223
1-(4-heptylphenyl)-3-propylurea
CID 142021842
1-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-propylurea
CID 110749166
N-propyl-N'-(4-pyrrolidin-1-ylphenyl)oxamide
CID 47226004

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-3-propylurea?
The IUPAC name of 1-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-3-propylurea (CID 110637567) is 1-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-3-propylurea.
What is the SMILES notation for 1-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-3-propylurea?
The canonical SMILES for 1-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-3-propylurea is CCCNC(=O)Nc1ccc(N2C(C)COCC2C)cc1.
What is the InChIKey of 1-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-3-propylurea?
The InChIKey is WSMWPWIMTWFAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-9-17-16(20)18-14-5-7-15(8-6-14)19-12(2)10-21-11-13(19)3/h5-8,12-13H,4,9-11H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-3-propylurea?
1-[4-(3,5-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-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-3-propylurea is sourced from PubChem (CID 110637567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).