1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]urea

C16H26N2O3 — CID 97223665

IUPAC1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]urea
SMILESCc1ccccc1OC[C@H](C)NC(=O)N(C)CC(C)(C)O
InChIInChI=1S/C16H26N2O3/c1-12-8-6-7-9-14(12)21-10-13(2)17-15(19)18(5)11-16(3,4)20/h6-9,13,20H,10-11H2,1-5H3,(H,17,19)/t13-/m0/s1
InChIKeyAGBLNTPOCSNVOF-ZDUSSCGKSA-N
MW294.39 g/mol
LogP2.17
Rot. Bonds6

About 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]urea

1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]urea (PubChem CID 97223665) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]urea
PubChem CID97223665
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]urea
SMILESCc1ccccc1OC[C@H](C)NC(=O)N(C)CC(C)(C)O
InChIInChI=1S/C16H26N2O3/c1-12-8-6-7-9-14(12)21-10-13(2)17-15(19)18(5)11-16(3,4)20/h6-9,13,20H,10-11H2,1-5H3,(H,17,19)/t13-/m0/s1
InChIKeyAGBLNTPOCSNVOF-ZDUSSCGKSA-N
XLogP2.17
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dimethylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 132651176
2-(2-fluorophenoxy)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 94623553
N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-(4-methylphenyl)acetamide
CID 94623535
2-(2-methylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]butanamide
CID 132652224
(2R)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-phenoxypropanamide
CID 94623488
2-(3,5-dimethoxyphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 132654122
N-[1-(2-methylphenoxy)propan-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 132652265
1-(2-hydroxy-2-methylpropyl)-3-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methylurea
CID 97075992
3-(dimethylsulfamoyl)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]benzamide
CID 94623465
2-[benzenesulfonyl(methyl)amino]-N-[1-(2-methylphenoxy)propan-2-yl]benzamide
CID 132671490
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 133160447
2-(2-chlorophenyl)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 133166960

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]urea?
The IUPAC name of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]urea (CID 97223665) is 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]urea.
What is the SMILES notation for 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]urea?
The canonical SMILES for 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]urea is Cc1ccccc1OC[C@H](C)NC(=O)N(C)CC(C)(C)O.
What is the InChIKey of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]urea?
The InChIKey is AGBLNTPOCSNVOF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12-8-6-7-9-14(12)21-10-13(2)17-15(19)18(5)11-16(3,4)20/h6-9,13,20H,10-11H2,1-5H3,(H,17,19)/t13-/m0/s1.
What are the key properties of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]urea?
1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]urea has a molecular weight of 294.39 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]urea is sourced from PubChem (CID 97223665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).