1-(4-acetylphenyl)-3-octan-4-ylurea

C17H26N2O2 — CID 106025098

IUPAC1-(4-acetylphenyl)-3-octan-4-ylurea
SMILESCCCCC(CCC)NC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C17H26N2O2/c1-4-6-8-15(7-5-2)18-17(21)19-16-11-9-14(10-12-16)13(3)20/h9-12,15H,4-8H2,1-3H3,(H2,18,19,21)
InChIKeyWJHGOTPSZZHOSD-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.37
Rot. Bonds8

About 1-(4-acetylphenyl)-3-octan-4-ylurea

1-(4-acetylphenyl)-3-octan-4-ylurea (PubChem CID 106025098) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-octan-4-ylurea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-octan-4-ylurea
PubChem CID106025098
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(4-acetylphenyl)-3-octan-4-ylurea
SMILESCCCCC(CCC)NC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C17H26N2O2/c1-4-6-8-15(7-5-2)18-17(21)19-16-11-9-14(10-12-16)13(3)20/h9-12,15H,4-8H2,1-3H3,(H2,18,19,21)
InChIKeyWJHGOTPSZZHOSD-UHFFFAOYSA-N
XLogP4.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-aminophenyl)-3-octan-4-ylurea
CID 106026333
1-hexan-3-yl-3-(4-methylphenyl)urea
CID 134360432
N-octan-4-yl-4-sulfanylbenzamide
CID 114138154
1-(4-acetylphenyl)-3-(3-methylpentan-2-yl)urea
CID 61466395
1-[4-(hexan-2-ylamino)phenyl]ethanone
CID 114468208
1-(4-acetylphenyl)-3-(1-cyanopropyl)urea
CID 61340054
1-(4-acetylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 103709885
1-(4-acetylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709881
1-(4-butylphenyl)-3-pentan-3-ylurea
CID 17279678
(2S,3R)-2-[(4-acetylphenyl)carbamoylamino]-3-methylpentanoic acid
CID 943801
methyl 4-(pentan-2-ylcarbamoylamino)benzoate
CID 47039918
3-(4-acetylphenyl)-1-methyl-1-pentan-2-ylurea
CID 47186238

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-octan-4-ylurea?
The IUPAC name of 1-(4-acetylphenyl)-3-octan-4-ylurea (CID 106025098) is 1-(4-acetylphenyl)-3-octan-4-ylurea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-octan-4-ylurea?
The canonical SMILES for 1-(4-acetylphenyl)-3-octan-4-ylurea is CCCCC(CCC)NC(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-octan-4-ylurea?
The InChIKey is WJHGOTPSZZHOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-6-8-15(7-5-2)18-17(21)19-16-11-9-14(10-12-16)13(3)20/h9-12,15H,4-8H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-(4-acetylphenyl)-3-octan-4-ylurea?
1-(4-acetylphenyl)-3-octan-4-ylurea has a molecular weight of 290.41 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-octan-4-ylurea is sourced from PubChem (CID 106025098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).