1-(1-hydroxypropan-2-yl)-3-[4-methyl-3-(3-methylbutoxy)phenyl]urea

C16H26N2O3 — CID 111443385

IUPAC1-(1-hydroxypropan-2-yl)-3-[4-methyl-3-(3-methylbutoxy)phenyl]urea
SMILESCc1ccc(NC(=O)NC(C)CO)cc1OCCC(C)C
InChIInChI=1S/C16H26N2O3/c1-11(2)7-8-21-15-9-14(6-5-12(15)3)18-16(20)17-13(4)10-19/h5-6,9,11,13,19H,7-8,10H2,1-4H3,(H2,17,18,20)
InChIKeyRVMYJRYXJIKVQK-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.92
Rot. Bonds7

About 1-(1-hydroxypropan-2-yl)-3-[4-methyl-3-(3-methylbutoxy)phenyl]urea

1-(1-hydroxypropan-2-yl)-3-[4-methyl-3-(3-methylbutoxy)phenyl]urea (PubChem CID 111443385) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)-3-[4-methyl-3-(3-methylbutoxy)phenyl]urea.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)-3-[4-methyl-3-(3-methylbutoxy)phenyl]urea
PubChem CID111443385
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name1-(1-hydroxypropan-2-yl)-3-[4-methyl-3-(3-methylbutoxy)phenyl]urea
SMILESCc1ccc(NC(=O)NC(C)CO)cc1OCCC(C)C
InChIInChI=1S/C16H26N2O3/c1-11(2)7-8-21-15-9-14(6-5-12(15)3)18-16(20)17-13(4)10-19/h5-6,9,11,13,19H,7-8,10H2,1-4H3,(H2,17,18,20)
InChIKeyRVMYJRYXJIKVQK-UHFFFAOYSA-N
XLogP2.92
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890307
4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]pentanamide
CID 120563196
4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]butanamide;hydrochloride
CID 119332237
1-(4-methoxy-3-methylphenyl)-3-(5-methylhexan-2-yl)urea
CID 60546005
(2R)-2-(hydroxymethyl)-N-[4-methyl-3-(3-methylbutoxy)phenyl]pyrrolidine-1-carboxamide
CID 111443382
4-hydroxy-N-[4-methyl-3-(3-methylbutoxy)phenyl]pyrrolidine-2-carboxamide
CID 119798718
1-(3,4-dichlorophenyl)-3-(1-hydroxypropan-2-yl)urea
CID 43417317
2-[methyl-[1-[[4-methyl-3-(3-methylbutoxy)phenyl]carbamoyl]piperidin-4-yl]amino]acetic acid
CID 122085308
methyl 4-acetamido-2-(3-methylbutoxy)benzoate
CID 44576528
2-(2,5-dimethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79031567
1-(3-cyano-4-fluorophenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110932007
1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-(5-methylhexan-2-yl)urea
CID 112825815

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yl)-3-[4-methyl-3-(3-methylbutoxy)phenyl]urea?
The IUPAC name of 1-(1-hydroxypropan-2-yl)-3-[4-methyl-3-(3-methylbutoxy)phenyl]urea (CID 111443385) is 1-(1-hydroxypropan-2-yl)-3-[4-methyl-3-(3-methylbutoxy)phenyl]urea.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)-3-[4-methyl-3-(3-methylbutoxy)phenyl]urea?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)-3-[4-methyl-3-(3-methylbutoxy)phenyl]urea is Cc1ccc(NC(=O)NC(C)CO)cc1OCCC(C)C.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)-3-[4-methyl-3-(3-methylbutoxy)phenyl]urea?
The InChIKey is RVMYJRYXJIKVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11(2)7-8-21-15-9-14(6-5-12(15)3)18-16(20)17-13(4)10-19/h5-6,9,11,13,19H,7-8,10H2,1-4H3,(H2,17,18,20).
What are the key properties of 1-(1-hydroxypropan-2-yl)-3-[4-methyl-3-(3-methylbutoxy)phenyl]urea?
1-(1-hydroxypropan-2-yl)-3-[4-methyl-3-(3-methylbutoxy)phenyl]urea has a molecular weight of 294.40 g/mol, XLogP of 2.92, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yl)-3-[4-methyl-3-(3-methylbutoxy)phenyl]urea is sourced from PubChem (CID 111443385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).