1-(2,5-dimethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea

C16H26N2O2 — CID 111120346

IUPAC1-(2,5-dimethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
SMILESCCC(C)C(C)(O)CNC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C16H26N2O2/c1-6-13(4)16(5,20)10-17-15(19)18-14-9-11(2)7-8-12(14)3/h7-9,13,20H,6,10H2,1-5H3,(H2,17,18,19)
InChIKeyXNZQWXRHTCNGQC-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.22
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea

1-(2,5-dimethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea (PubChem CID 111120346) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
PubChem CID111120346
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(2,5-dimethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
SMILESCCC(C)C(C)(O)CNC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C16H26N2O2/c1-6-13(4)16(5,20)10-17-15(19)18-14-9-11(2)7-8-12(14)3/h7-9,13,20H,6,10H2,1-5H3,(H2,17,18,19)
InChIKeyXNZQWXRHTCNGQC-UHFFFAOYSA-N
XLogP3.22
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 3263261
1-(2-ethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111120487
N-(2-hydroxy-2,3-dimethylpentyl)-2,4-dimethylbenzamide
CID 111446501
1-[(2S)-2-(diethylamino)propyl]-3-(2,5-dimethylphenyl)urea
CID 51943970
1-(4-fluoro-2-methoxyphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111120547
1-(2-hydroxy-2,3-dimethylpentyl)-3-(2-methyl-3-nitrophenyl)urea
CID 111120461
2-[(2,5-dimethylphenyl)carbamoylamino]-N-propylpropanamide
CID 47133143
1-(2-hydroxy-2,3-dimethylpentyl)-3-pentan-3-ylurea
CID 111120801
5-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-2-methylbenzamide
CID 111446571
1-(2,5-dimethylphenyl)-3-(methoxymethyl)urea
CID 110675983
N-(2,5-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 111750380
1-(2-hydroxy-2,3-dimethylpentyl)-3-pyridin-3-ylurea
CID 111119402

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea (CID 111120346) is 1-(2,5-dimethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea is CCC(C)C(C)(O)CNC(=O)Nc1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea?
The InChIKey is XNZQWXRHTCNGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-6-13(4)16(5,20)10-17-15(19)18-14-9-11(2)7-8-12(14)3/h7-9,13,20H,6,10H2,1-5H3,(H2,17,18,19).
What are the key properties of 1-(2,5-dimethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea?
1-(2,5-dimethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea has a molecular weight of 278.40 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea is sourced from PubChem (CID 111120346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).