3-(2,4-dimethoxyphenyl)-1-methyl-1-[2-[(2R)-oxan-2-yl]ethyl]urea

C17H26N2O4 — CID 124523163

IUPAC3-(2,4-dimethoxyphenyl)-1-methyl-1-[2-[(2R)-oxan-2-yl]ethyl]urea
SMILESCOc1ccc(NC(=O)N(C)CC[C@H]2CCCCO2)c(OC)c1
InChIInChI=1S/C17H26N2O4/c1-19(10-9-13-6-4-5-11-23-13)17(20)18-15-8-7-14(21-2)12-16(15)22-3/h7-8,12-13H,4-6,9-11H2,1-3H3,(H,18,20)/t13-/m1/s1
InChIKeyQRGFGLSKNLLYNI-CYBMUJFWSA-N
MW322.40 g/mol
LogP3.13
Rot. Bonds6

About 3-(2,4-dimethoxyphenyl)-1-methyl-1-[2-[(2R)-oxan-2-yl]ethyl]urea

3-(2,4-dimethoxyphenyl)-1-methyl-1-[2-[(2R)-oxan-2-yl]ethyl]urea (PubChem CID 124523163) has the molecular formula C17H26N2O4 and a molecular weight of 322.40 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-1-methyl-1-[2-[(2R)-oxan-2-yl]ethyl]urea.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-1-methyl-1-[2-[(2R)-oxan-2-yl]ethyl]urea
PubChem CID124523163
Molecular FormulaC17H26N2O4
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Name3-(2,4-dimethoxyphenyl)-1-methyl-1-[2-[(2R)-oxan-2-yl]ethyl]urea
SMILESCOc1ccc(NC(=O)N(C)CC[C@H]2CCCCO2)c(OC)c1
InChIInChI=1S/C17H26N2O4/c1-19(10-9-13-6-4-5-11-23-13)17(20)18-15-8-7-14(21-2)12-16(15)22-3/h7-8,12-13H,4-6,9-11H2,1-3H3,(H,18,20)/t13-/m1/s1
InChIKeyQRGFGLSKNLLYNI-CYBMUJFWSA-N
XLogP3.13
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-[methyl(oxan-2-ylmethyl)amino]propanamide
CID 91842038
N-(2,4-dimethoxyphenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825214
1-methyl-3-[2-(2-methylpropoxy)phenyl]-1-[2-(oxan-2-yl)ethyl]urea
CID 118793915
3-(2-chloro-5-methylphenyl)-1-methyl-1-[2-[(2R)-oxan-2-yl]ethyl]urea
CID 97279208
3-[4-(difluoromethoxy)phenyl]-1-methyl-1-[2-[(2S)-oxan-2-yl]ethyl]urea
CID 125165120
1-butyl-3-(2,4-dimethoxyphenyl)-1-methylurea
CID 23849485
3-[2-(4-methoxyphenyl)phenyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 125160875
3-[2-(4-methoxyphenyl)phenyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea
CID 125160872
2,4-dimethoxy-N-(oxan-2-ylmethyl)-N-propylbenzamide
CID 56803297
3-(2-methoxyethyl)-1-methyl-1-[2-(oxan-2-yl)ethyl]urea
CID 110426615
1-[(4-methoxy-2-pyridinyl)methyl]-1-methyl-3-[[(2S)-oxan-2-yl]methyl]urea
CID 126430739
4-[[methyl-[2-(oxan-2-yl)ethyl]carbamoyl]amino]-N-propylbenzamide
CID 118769242

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-1-methyl-1-[2-[(2R)-oxan-2-yl]ethyl]urea?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-1-methyl-1-[2-[(2R)-oxan-2-yl]ethyl]urea (CID 124523163) is 3-(2,4-dimethoxyphenyl)-1-methyl-1-[2-[(2R)-oxan-2-yl]ethyl]urea.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-1-methyl-1-[2-[(2R)-oxan-2-yl]ethyl]urea?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-1-methyl-1-[2-[(2R)-oxan-2-yl]ethyl]urea is COc1ccc(NC(=O)N(C)CC[C@H]2CCCCO2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-1-methyl-1-[2-[(2R)-oxan-2-yl]ethyl]urea?
The InChIKey is QRGFGLSKNLLYNI-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-19(10-9-13-6-4-5-11-23-13)17(20)18-15-8-7-14(21-2)12-16(15)22-3/h7-8,12-13H,4-6,9-11H2,1-3H3,(H,18,20)/t13-/m1/s1.
What are the key properties of 3-(2,4-dimethoxyphenyl)-1-methyl-1-[2-[(2R)-oxan-2-yl]ethyl]urea?
3-(2,4-dimethoxyphenyl)-1-methyl-1-[2-[(2R)-oxan-2-yl]ethyl]urea has a molecular weight of 322.40 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-1-methyl-1-[2-[(2R)-oxan-2-yl]ethyl]urea is sourced from PubChem (CID 124523163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).