1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea

C21H35N3O3 — CID 55747813

IUPAC1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea
SMILESCC(C)OCc1ccccc1CNC(=O)NCCCN1CC(C)OC(C)C1
InChIInChI=1S/C21H35N3O3/c1-16(2)26-15-20-9-6-5-8-19(20)12-23-21(25)22-10-7-11-24-13-17(3)27-18(4)14-24/h5-6,8-9,16-18H,7,10-15H2,1-4H3,(H2,22,23,25)
InChIKeyFGYGBWYHCGNVPM-UHFFFAOYSA-N
MW377.53 g/mol
LogP2.91
Rot. Bonds9

About 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea

1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea (PubChem CID 55747813) has the molecular formula C21H35N3O3 and a molecular weight of 377.53 g/mol. Its IUPAC name is 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea
PubChem CID55747813
Molecular FormulaC21H35N3O3
Molecular Weight377.53 g/mol
Exact Mass377.27
IUPAC Name1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea
SMILESCC(C)OCc1ccccc1CNC(=O)NCCCN1CC(C)OC(C)C1
InChIInChI=1S/C21H35N3O3/c1-16(2)26-15-20-9-6-5-8-19(20)12-23-21(25)22-10-7-11-24-13-17(3)27-18(4)14-24/h5-6,8-9,16-18H,7,10-15H2,1-4H3,(H2,22,23,25)
InChIKeyFGYGBWYHCGNVPM-UHFFFAOYSA-N
XLogP2.91
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylurea
CID 51333998
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-pyridin-2-ylurea
CID 51084139
2-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119840992
(2R)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]-2-methoxypropanamide
CID 97039119
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(4-methylphenyl)urea
CID 51334002
1-amino-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide
CID 124689810
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]-3-phenylprop-2-ynamide
CID 97039116
3-(2-aminophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide;dihydrochloride
CID 120612238
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(4-fluorophenyl)urea
CID 51334001
1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea
CID 52569463
1-(3-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 111337159
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-methylpropanamide
CID 75800055

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea (CID 55747813) is 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea is CC(C)OCc1ccccc1CNC(=O)NCCCN1CC(C)OC(C)C1.
What is the InChIKey of 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea?
The InChIKey is FGYGBWYHCGNVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O3/c1-16(2)26-15-20-9-6-5-8-19(20)12-23-21(25)22-10-7-11-24-13-17(3)27-18(4)14-24/h5-6,8-9,16-18H,7,10-15H2,1-4H3,(H2,22,23,25).
What are the key properties of 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea?
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea has a molecular weight of 377.53 g/mol, XLogP of 2.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 55747813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).