1-methoxy-3-[4-[(2-methoxy-2,3-dimethyl-3,4-dihydrochromen-7-yl)oxy]phenyl]-1-methylurea

C21H26N2O5 — CID 14152738

IUPAC1-methoxy-3-[4-[(2-methoxy-2,3-dimethyl-3,4-dihydrochromen-7-yl)oxy]phenyl]-1-methylurea
SMILESCON(C)C(=O)Nc1ccc(Oc2ccc3c(c2)OC(C)(OC)C(C)C3)cc1
InChIInChI=1S/C21H26N2O5/c1-14-12-15-6-9-18(13-19(15)28-21(14,2)25-4)27-17-10-7-16(8-11-17)22-20(24)23(3)26-5/h6-11,13-14H,12H2,1-5H3,(H,22,24)
InChIKeyIDIULWADCDRCJI-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.44
Rot. Bonds5

About 1-methoxy-3-[4-[(2-methoxy-2,3-dimethyl-3,4-dihydrochromen-7-yl)oxy]phenyl]-1-methylurea

1-methoxy-3-[4-[(2-methoxy-2,3-dimethyl-3,4-dihydrochromen-7-yl)oxy]phenyl]-1-methylurea (PubChem CID 14152738) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is 1-methoxy-3-[4-[(2-methoxy-2,3-dimethyl-3,4-dihydrochromen-7-yl)oxy]phenyl]-1-methylurea.

Molecular Properties

Compound Name1-methoxy-3-[4-[(2-methoxy-2,3-dimethyl-3,4-dihydrochromen-7-yl)oxy]phenyl]-1-methylurea
PubChem CID14152738
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name1-methoxy-3-[4-[(2-methoxy-2,3-dimethyl-3,4-dihydrochromen-7-yl)oxy]phenyl]-1-methylurea
SMILESCON(C)C(=O)Nc1ccc(Oc2ccc3c(c2)OC(C)(OC)C(C)C3)cc1
InChIInChI=1S/C21H26N2O5/c1-14-12-15-6-9-18(13-19(15)28-21(14,2)25-4)27-17-10-7-16(8-11-17)22-20(24)23(3)26-5/h6-11,13-14H,12H2,1-5H3,(H,22,24)
InChIKeyIDIULWADCDRCJI-UHFFFAOYSA-N
XLogP4.44
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[4-[(3-ethyl-1-benzofuran-5-yl)oxy]phenyl]-1-methoxy-1-methylurea
CID 14152802
1-methoxy-1-methyl-3-(3-phenoxyphenyl)urea
CID 13424071
3-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-1-methoxy-1-methylurea
CID 88724929
3-[4-(2-cyclohexylethoxy)phenyl]-1-methoxy-1-methylurea
CID 23275933
tris(3-(4-chlorophenyl)-1,1-dimethylurea);bis(3-(4-chlorophenyl)-1-methoxy-1-methylurea)
CID 173361300
3-[4-[(4-chloro-6-methyl-1,3,5-triazin-2-yl)oxy]phenyl]-1-methoxy-1-methylurea
CID 134119610
1-methoxy-1-methyl-3-[4-[(3-methylphenyl)methoxy]phenyl]urea
CID 12893509
methyl N-[4-[[7-(hydroxycarbamoyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phenyl]carbamate
CID 123209447
3-[4-[(4-bromophenyl)methoxy]phenyl]-1-methoxy-1-methylurea
CID 12893499
methyl (2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylate
CID 10703555
1-methoxy-1-methyl-3-[3-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]urea
CID 14499859
3-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-1-methoxy-1-methylurea
CID 12953558

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[4-[(2-methoxy-2,3-dimethyl-3,4-dihydrochromen-7-yl)oxy]phenyl]-1-methylurea?
The IUPAC name of 1-methoxy-3-[4-[(2-methoxy-2,3-dimethyl-3,4-dihydrochromen-7-yl)oxy]phenyl]-1-methylurea (CID 14152738) is 1-methoxy-3-[4-[(2-methoxy-2,3-dimethyl-3,4-dihydrochromen-7-yl)oxy]phenyl]-1-methylurea.
What is the SMILES notation for 1-methoxy-3-[4-[(2-methoxy-2,3-dimethyl-3,4-dihydrochromen-7-yl)oxy]phenyl]-1-methylurea?
The canonical SMILES for 1-methoxy-3-[4-[(2-methoxy-2,3-dimethyl-3,4-dihydrochromen-7-yl)oxy]phenyl]-1-methylurea is CON(C)C(=O)Nc1ccc(Oc2ccc3c(c2)OC(C)(OC)C(C)C3)cc1.
What is the InChIKey of 1-methoxy-3-[4-[(2-methoxy-2,3-dimethyl-3,4-dihydrochromen-7-yl)oxy]phenyl]-1-methylurea?
The InChIKey is IDIULWADCDRCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-14-12-15-6-9-18(13-19(15)28-21(14,2)25-4)27-17-10-7-16(8-11-17)22-20(24)23(3)26-5/h6-11,13-14H,12H2,1-5H3,(H,22,24).
What are the key properties of 1-methoxy-3-[4-[(2-methoxy-2,3-dimethyl-3,4-dihydrochromen-7-yl)oxy]phenyl]-1-methylurea?
1-methoxy-3-[4-[(2-methoxy-2,3-dimethyl-3,4-dihydrochromen-7-yl)oxy]phenyl]-1-methylurea has a molecular weight of 386.45 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[4-[(2-methoxy-2,3-dimethyl-3,4-dihydrochromen-7-yl)oxy]phenyl]-1-methylurea is sourced from PubChem (CID 14152738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).