1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea

C19H31N3O4 — CID 55793848

IUPAC1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea
SMILESCOc1ccc(C(C)NC(=O)NCCN2CC(C)OC(C)C2)cc1OC
InChIInChI=1S/C19H31N3O4/c1-13-11-22(12-14(2)26-13)9-8-20-19(23)21-15(3)16-6-7-17(24-4)18(10-16)25-5/h6-7,10,13-15H,8-9,11-12H2,1-5H3,(H2,20,21,23)
InChIKeyCCYKQYNLPYCEAN-UHFFFAOYSA-N
MW365.47 g/mol
LogP2.17
Rot. Bonds7

About 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea

1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea (PubChem CID 55793848) has the molecular formula C19H31N3O4 and a molecular weight of 365.47 g/mol. Its IUPAC name is 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea
PubChem CID55793848
Molecular FormulaC19H31N3O4
Molecular Weight365.47 g/mol
Exact Mass365.23
IUPAC Name1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea
SMILESCOc1ccc(C(C)NC(=O)NCCN2CC(C)OC(C)C2)cc1OC
InChIInChI=1S/C19H31N3O4/c1-13-11-22(12-14(2)26-13)9-8-20-19(23)21-15(3)16-6-7-17(24-4)18(10-16)25-5/h6-7,10,13-15H,8-9,11-12H2,1-5H3,(H2,20,21,23)
InChIKeyCCYKQYNLPYCEAN-UHFFFAOYSA-N
XLogP2.17
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea
CID 129471370
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea
CID 108889393
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea
CID 55792466
1-[2-(4-bromophenyl)ethyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea
CID 108902279
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyethyl)urea
CID 108886994
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(2-methoxyphenoxy)methyl]urea
CID 108892136
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-methoxynaphthalene-2-carboxamide
CID 43044370
(2R)-2-chloro-N-[2-[[(1S)-1-(4-ethoxy-3-methoxyphenyl)ethyl]carbamoylamino]ethyl]propanamide
CID 124885683
(2S)-2-chloro-N-[2-[[(1S)-1-(4-ethoxy-3-methoxyphenyl)ethyl]carbamoylamino]ethyl]propanamide
CID 124885687
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(2,3,6-trimethylphenoxy)methyl]urea
CID 108880163
1-[(E)-but-1-enyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea
CID 108910581
(2R)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide;dihydrochloride
CID 172818936

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea?
The IUPAC name of 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea (CID 55793848) is 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea.
What is the SMILES notation for 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea?
The canonical SMILES for 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea is COc1ccc(C(C)NC(=O)NCCN2CC(C)OC(C)C2)cc1OC.
What is the InChIKey of 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea?
The InChIKey is CCYKQYNLPYCEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4/c1-13-11-22(12-14(2)26-13)9-8-20-19(23)21-15(3)16-6-7-17(24-4)18(10-16)25-5/h6-7,10,13-15H,8-9,11-12H2,1-5H3,(H2,20,21,23).
What are the key properties of 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea?
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea has a molecular weight of 365.47 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea is sourced from PubChem (CID 55793848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).