1-(4-acetylphenyl)-3-(3-methylpentan-2-yl)urea

C15H22N2O2 — CID 61466395

IUPAC1-(4-acetylphenyl)-3-(3-methylpentan-2-yl)urea
SMILESCCC(C)C(C)NC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C15H22N2O2/c1-5-10(2)11(3)16-15(19)17-14-8-6-13(7-9-14)12(4)18/h6-11H,5H2,1-4H3,(H2,16,17,19)
InChIKeyUNCWRXOKEFZJKD-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.45
Rot. Bonds5

About 1-(4-acetylphenyl)-3-(3-methylpentan-2-yl)urea

1-(4-acetylphenyl)-3-(3-methylpentan-2-yl)urea (PubChem CID 61466395) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-(3-methylpentan-2-yl)urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-(3-methylpentan-2-yl)urea
PubChem CID61466395
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(4-acetylphenyl)-3-(3-methylpentan-2-yl)urea
SMILESCCC(C)C(C)NC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C15H22N2O2/c1-5-10(2)11(3)16-15(19)17-14-8-6-13(7-9-14)12(4)18/h6-11H,5H2,1-4H3,(H2,16,17,19)
InChIKeyUNCWRXOKEFZJKD-UHFFFAOYSA-N
XLogP3.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-2-[(4-acetylphenyl)carbamoylamino]-3-methylpentanoic acid
CID 943801
1-(4-acetylphenyl)-3-(1-cyanopropyl)urea
CID 61340054
2-[(4-acetylphenyl)carbamoylamino]-3-methylbutanamide
CID 103951096
methyl (2S)-2-[(4-acetylphenyl)carbamoylamino]-3-methylbutanoate
CID 663581
1-(4-acetylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 103709885
1-(4-acetylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
CID 111115072
1-(4-acetylphenyl)-3-octan-4-ylurea
CID 106025098
1-[3-(1-hydroxyethyl)phenyl]-3-(3-methylpentan-2-yl)urea
CID 61466439
(2S)-2-[(4-carbamoylphenyl)carbamoylamino]-3-methylpentanoic acid
CID 61185112
1-(4-aminophenyl)-3-(3-ethylpentan-2-yl)urea
CID 63836426
methyl N-(4-acetylphenyl)carbamate;propane
CID 177246404
1-(4-acetylphenyl)-3-(methoxymethyl)urea
CID 110676030

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-(3-methylpentan-2-yl)urea?
The IUPAC name of 1-(4-acetylphenyl)-3-(3-methylpentan-2-yl)urea (CID 61466395) is 1-(4-acetylphenyl)-3-(3-methylpentan-2-yl)urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-(3-methylpentan-2-yl)urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-(3-methylpentan-2-yl)urea is CCC(C)C(C)NC(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-(3-methylpentan-2-yl)urea?
The InChIKey is UNCWRXOKEFZJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-5-10(2)11(3)16-15(19)17-14-8-6-13(7-9-14)12(4)18/h6-11H,5H2,1-4H3,(H2,16,17,19).
What are the key properties of 1-(4-acetylphenyl)-3-(3-methylpentan-2-yl)urea?
1-(4-acetylphenyl)-3-(3-methylpentan-2-yl)urea has a molecular weight of 262.35 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-(3-methylpentan-2-yl)urea is sourced from PubChem (CID 61466395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).