1-methyl-3-[2-(2-methylpropoxy)phenyl]-1-[2-(oxan-2-yl)ethyl]urea

C19H30N2O3 — CID 118793915

IUPAC1-methyl-3-[2-(2-methylpropoxy)phenyl]-1-[2-(oxan-2-yl)ethyl]urea
SMILESCC(C)COc1ccccc1NC(=O)N(C)CCC1CCCCO1
InChIInChI=1S/C19H30N2O3/c1-15(2)14-24-18-10-5-4-9-17(18)20-19(22)21(3)12-11-16-8-6-7-13-23-16/h4-5,9-10,15-16H,6-8,11-14H2,1-3H3,(H,20,22)
InChIKeyFTSRQRAGNVXVIL-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.14
Rot. Bonds7

About 1-methyl-3-[2-(2-methylpropoxy)phenyl]-1-[2-(oxan-2-yl)ethyl]urea

1-methyl-3-[2-(2-methylpropoxy)phenyl]-1-[2-(oxan-2-yl)ethyl]urea (PubChem CID 118793915) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-methyl-3-[2-(2-methylpropoxy)phenyl]-1-[2-(oxan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-(2-methylpropoxy)phenyl]-1-[2-(oxan-2-yl)ethyl]urea
PubChem CID118793915
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name1-methyl-3-[2-(2-methylpropoxy)phenyl]-1-[2-(oxan-2-yl)ethyl]urea
SMILESCC(C)COc1ccccc1NC(=O)N(C)CCC1CCCCO1
InChIInChI=1S/C19H30N2O3/c1-15(2)14-24-18-10-5-4-9-17(18)20-19(22)21(3)12-11-16-8-6-7-13-23-16/h4-5,9-10,15-16H,6-8,11-14H2,1-3H3,(H,20,22)
InChIKeyFTSRQRAGNVXVIL-UHFFFAOYSA-N
XLogP4.14
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethoxyphenyl)-1-methyl-1-[2-[(2R)-oxan-2-yl]ethyl]urea
CID 124523163
2-(2-methylpropoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]aniline
CID 164638358
N-[2-(2-methylpropoxy)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 17222367
1-methyl-3-[2-(2-methylpropoxy)phenyl]-1-[2-(1,2,4-triazol-4-yl)ethyl]urea
CID 146126898
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-(5-methylhexan-2-yl)-3-[2-(oxan-2-ylmethoxy)phenyl]urea
CID 60577047
1-methyl-3-(3-methylbutyl)-1-[2-(oxan-2-yl)ethyl]urea
CID 110426616
2-[cyclohexyl(methyl)amino]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817408
5-bromo-2-(2-methylpropoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17170286
2-[[2-(2-methylpropoxy)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4945492
2-[[2-(2-methylpropoxy)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 9206549

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(2-methylpropoxy)phenyl]-1-[2-(oxan-2-yl)ethyl]urea?
The IUPAC name of 1-methyl-3-[2-(2-methylpropoxy)phenyl]-1-[2-(oxan-2-yl)ethyl]urea (CID 118793915) is 1-methyl-3-[2-(2-methylpropoxy)phenyl]-1-[2-(oxan-2-yl)ethyl]urea.
What is the SMILES notation for 1-methyl-3-[2-(2-methylpropoxy)phenyl]-1-[2-(oxan-2-yl)ethyl]urea?
The canonical SMILES for 1-methyl-3-[2-(2-methylpropoxy)phenyl]-1-[2-(oxan-2-yl)ethyl]urea is CC(C)COc1ccccc1NC(=O)N(C)CCC1CCCCO1.
What is the InChIKey of 1-methyl-3-[2-(2-methylpropoxy)phenyl]-1-[2-(oxan-2-yl)ethyl]urea?
The InChIKey is FTSRQRAGNVXVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-15(2)14-24-18-10-5-4-9-17(18)20-19(22)21(3)12-11-16-8-6-7-13-23-16/h4-5,9-10,15-16H,6-8,11-14H2,1-3H3,(H,20,22).
What are the key properties of 1-methyl-3-[2-(2-methylpropoxy)phenyl]-1-[2-(oxan-2-yl)ethyl]urea?
1-methyl-3-[2-(2-methylpropoxy)phenyl]-1-[2-(oxan-2-yl)ethyl]urea has a molecular weight of 334.46 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(2-methylpropoxy)phenyl]-1-[2-(oxan-2-yl)ethyl]urea is sourced from PubChem (CID 118793915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).