1-[(3,4-dimethoxyphenyl)methyl]-3-[(2R)-1-hydroxy-2-methylbutan-2-yl]urea

C15H24N2O4 — CID 95772333

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-3-[(2R)-1-hydroxy-2-methylbutan-2-yl]urea
SMILESCC[C@](C)(CO)NC(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H24N2O4/c1-5-15(2,10-18)17-14(19)16-9-11-6-7-12(20-3)13(8-11)21-4/h6-8,18H,5,9-10H2,1-4H3,(H2,16,17,19)/t15-/m1/s1
InChIKeyHELFWHOFVVJJCV-OAHLLOKOSA-N
MW296.37 g/mol
LogP1.66
Rot. Bonds7

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

1-[(3,4-dimethoxyphenyl)methyl]-3-[(2R)-1-hydroxy-2-methylbutan-2-yl]urea (PubChem CID 95772333) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-3-[(2R)-1-hydroxy-2-methylbutan-2-yl]urea.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-3-[(2R)-1-hydroxy-2-methylbutan-2-yl]urea
PubChem CID95772333
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-3-[(2R)-1-hydroxy-2-methylbutan-2-yl]urea
SMILESCC[C@](C)(CO)NC(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H24N2O4/c1-5-15(2,10-18)17-14(19)16-9-11-6-7-12(20-3)13(8-11)21-4/h6-8,18H,5,9-10H2,1-4H3,(H2,16,17,19)/t15-/m1/s1
InChIKeyHELFWHOFVVJJCV-OAHLLOKOSA-N
XLogP1.66
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157430
N-tert-butyl-2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]propanamide
CID 47075828
N-tert-butyl-N'-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108965097
(3,4-dimethoxyphenyl)methylcarbamothioic S-acid
CID 115169922
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 113216793
2-(3,4-dimethoxyphenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 62517073
1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 41182139
4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 8852512
N-[5-[(tert-butylcarbamoylamino)methyl]-2-methoxyphenyl]acetamide
CID 110775274
1-[(3,4-dimethoxyphenyl)methyl]-3-(2,2-dimethyl-1-phenylpropyl)urea
CID 55769817
tert-butyl (2R)-2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]propanoate
CID 95302636
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxy-2-phenylbutyl)urea
CID 90599815

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-[(2R)-1-hydroxy-2-methylbutan-2-yl]urea?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-[(2R)-1-hydroxy-2-methylbutan-2-yl]urea (CID 95772333) is 1-[(3,4-dimethoxyphenyl)methyl]-3-[(2R)-1-hydroxy-2-methylbutan-2-yl]urea.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-3-[(2R)-1-hydroxy-2-methylbutan-2-yl]urea?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-3-[(2R)-1-hydroxy-2-methylbutan-2-yl]urea is CC[C@](C)(CO)NC(=O)NCc1ccc(OC)c(OC)c1.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-3-[(2R)-1-hydroxy-2-methylbutan-2-yl]urea?
The InChIKey is HELFWHOFVVJJCV-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-5-15(2,10-18)17-14(19)16-9-11-6-7-12(20-3)13(8-11)21-4/h6-8,18H,5,9-10H2,1-4H3,(H2,16,17,19)/t15-/m1/s1.
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-3-[(2R)-1-hydroxy-2-methylbutan-2-yl]urea?
1-[(3,4-dimethoxyphenyl)methyl]-3-[(2R)-1-hydroxy-2-methylbutan-2-yl]urea has a molecular weight of 296.37 g/mol, XLogP of 1.66, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-3-[(2R)-1-hydroxy-2-methylbutan-2-yl]urea is sourced from PubChem (CID 95772333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).