(5-acetyl-2-phenylmethoxyphenyl)urea

C16H16N2O3 — CID 21435558

IUPAC(5-acetyl-2-phenylmethoxyphenyl)urea
SMILESCC(=O)c1ccc(OCc2ccccc2)c(NC(N)=O)c1
InChIInChI=1S/C16H16N2O3/c1-11(19)13-7-8-15(14(9-13)18-16(17)20)21-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H3,17,18,20)
InChIKeySMXDYSWNANKNBL-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.96
Rot. Bonds5

About (5-acetyl-2-phenylmethoxyphenyl)urea

(5-acetyl-2-phenylmethoxyphenyl)urea (PubChem CID 21435558) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is (5-acetyl-2-phenylmethoxyphenyl)urea.

Molecular Properties

Compound Name(5-acetyl-2-phenylmethoxyphenyl)urea
PubChem CID21435558
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name(5-acetyl-2-phenylmethoxyphenyl)urea
SMILESCC(=O)c1ccc(OCc2ccccc2)c(NC(N)=O)c1
InChIInChI=1S/C16H16N2O3/c1-11(19)13-7-8-15(14(9-13)18-16(17)20)21-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H3,17,18,20)
InChIKeySMXDYSWNANKNBL-UHFFFAOYSA-N
XLogP2.96
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-(5-acetyl-2-phenylmethoxyphenyl)carbamate
CID 21435529
N-(5-acetyl-2-phenylmethoxyphenyl)-2,2-dimethylpropanamide
CID 82156316
[5-[2-[benzyl(tert-butyl)amino]acetyl]-2-phenylmethoxyphenyl]urea
CID 125287928
3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybenzoic acid
CID 54328163
1-[5-(2-bromoacetyl)-2-phenylmethoxyphenyl]-3-methylurea
CID 21435486
benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybenzoate
CID 54325649
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
3-[(5-methoxycarbonyl-2-phenylmethoxyphenyl)carbamoyl]benzoic acid
CID 167899955
methyl 3-acetyl-4-phenylmethoxybenzoate
CID 22101033
1-[3-[(1R)-3-amino-1-phenylpropyl]-4-phenylmethoxyphenyl]ethanone
CID 70277293
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
(4-methoxy-3-phenylmethoxyphenyl)carbamic acid
CID 155170089

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-phenylmethoxyphenyl)urea?
The IUPAC name of (5-acetyl-2-phenylmethoxyphenyl)urea (CID 21435558) is (5-acetyl-2-phenylmethoxyphenyl)urea.
What is the SMILES notation for (5-acetyl-2-phenylmethoxyphenyl)urea?
The canonical SMILES for (5-acetyl-2-phenylmethoxyphenyl)urea is CC(=O)c1ccc(OCc2ccccc2)c(NC(N)=O)c1.
What is the InChIKey of (5-acetyl-2-phenylmethoxyphenyl)urea?
The InChIKey is SMXDYSWNANKNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11(19)13-7-8-15(14(9-13)18-16(17)20)21-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H3,17,18,20).
What are the key properties of (5-acetyl-2-phenylmethoxyphenyl)urea?
(5-acetyl-2-phenylmethoxyphenyl)urea has a molecular weight of 284.32 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-phenylmethoxyphenyl)urea is sourced from PubChem (CID 21435558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).