1-(3-acetylphenyl)-3-(2-ethoxypropyl)urea

C14H20N2O3 — CID 115662968

IUPAC1-(3-acetylphenyl)-3-(2-ethoxypropyl)urea
SMILESCCOC(C)CNC(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C14H20N2O3/c1-4-19-10(2)9-15-14(18)16-13-7-5-6-12(8-13)11(3)17/h5-8,10H,4,9H2,1-3H3,(H2,15,16,18)
InChIKeyKPOINZMRPPIHMY-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.44
Rot. Bonds6

About 1-(3-acetylphenyl)-3-(2-ethoxypropyl)urea

1-(3-acetylphenyl)-3-(2-ethoxypropyl)urea (PubChem CID 115662968) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-(2-ethoxypropyl)urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-(2-ethoxypropyl)urea
PubChem CID115662968
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-(3-acetylphenyl)-3-(2-ethoxypropyl)urea
SMILESCCOC(C)CNC(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C14H20N2O3/c1-4-19-10(2)9-15-14(18)16-13-7-5-6-12(8-13)11(3)17/h5-8,10H,4,9H2,1-3H3,(H2,15,16,18)
InChIKeyKPOINZMRPPIHMY-UHFFFAOYSA-N
XLogP2.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-acetylphenyl)-3-[(2R)-3-hydroxy-2-methylpropyl]urea
CID 94819199
ethyl 3-(2-methylpropylcarbamoylamino)benzoate
CID 47221039
1-(2-ethoxypropyl)-3-(4-methylphenyl)urea
CID 121261528
methyl 3-(2-methylpropylcarbamoylamino)benzoate
CID 39732859
3-(2,3,3-trimethylbutylcarbamoylamino)benzoic acid
CID 83144469
N-ethyl-3-(2-methylpropylcarbamoylamino)benzamide
CID 47200674
3-[(3-acetylphenyl)carbamoylamino]-N-propan-2-ylpropanamide
CID 115581776
1-(3-acetylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 47032107
3-[(3-acetylphenyl)carbamoylamino]-N-propylpropanamide
CID 61066520
N-[3-(2-hydroxypropylcarbamoylamino)phenyl]acetamide
CID 108884122
1-(3-acetylphenyl)-3-(1,3-dihydroxypropan-2-yl)urea
CID 65312663
N'-(3-acetylphenyl)-N-(2-hydroxypropyl)oxamide
CID 47225795

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-(2-ethoxypropyl)urea?
The IUPAC name of 1-(3-acetylphenyl)-3-(2-ethoxypropyl)urea (CID 115662968) is 1-(3-acetylphenyl)-3-(2-ethoxypropyl)urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-(2-ethoxypropyl)urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-(2-ethoxypropyl)urea is CCOC(C)CNC(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-(2-ethoxypropyl)urea?
The InChIKey is KPOINZMRPPIHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-19-10(2)9-15-14(18)16-13-7-5-6-12(8-13)11(3)17/h5-8,10H,4,9H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-(3-acetylphenyl)-3-(2-ethoxypropyl)urea?
1-(3-acetylphenyl)-3-(2-ethoxypropyl)urea has a molecular weight of 264.32 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-(2-ethoxypropyl)urea is sourced from PubChem (CID 115662968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).