ethyl N-(5-acetyl-2-phenylmethoxyphenyl)carbamate

C18H19NO4 — CID 21435529

IUPACethyl N-(5-acetyl-2-phenylmethoxyphenyl)carbamate
SMILESCCOC(=O)Nc1cc(C(C)=O)ccc1OCc1ccccc1
InChIInChI=1S/C18H19NO4/c1-3-22-18(21)19-16-11-15(13(2)20)9-10-17(16)23-12-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKeySIEQQTICRXXNHU-UHFFFAOYSA-N
MW313.35 g/mol
LogP4.04
Rot. Bonds6

About ethyl N-(5-acetyl-2-phenylmethoxyphenyl)carbamate

ethyl N-(5-acetyl-2-phenylmethoxyphenyl)carbamate (PubChem CID 21435529) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is ethyl N-(5-acetyl-2-phenylmethoxyphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(5-acetyl-2-phenylmethoxyphenyl)carbamate
PubChem CID21435529
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Nameethyl N-(5-acetyl-2-phenylmethoxyphenyl)carbamate
SMILESCCOC(=O)Nc1cc(C(C)=O)ccc1OCc1ccccc1
InChIInChI=1S/C18H19NO4/c1-3-22-18(21)19-16-11-15(13(2)20)9-10-17(16)23-12-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKeySIEQQTICRXXNHU-UHFFFAOYSA-N
XLogP4.04
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-acetyl-2-phenylmethoxyphenyl)urea
CID 21435558
N-(5-acetyl-2-phenylmethoxyphenyl)-2,2-dimethylpropanamide
CID 82156316
3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybenzoic acid
CID 54328163
benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybenzoate
CID 54325649
N-(5-acetyl-2-ethoxyphenyl)-2-methylbenzamide
CID 82156333
1-[5-(2-bromoacetyl)-2-phenylmethoxyphenyl]-3-methylurea
CID 21435486
butyl N-[5-(2-chloroethyl)-2-phenylmethoxyphenyl]carbamate
CID 10215615
N-[2-[(5-methyl-2-phenylmethoxyphenyl)carbamoylamino]ethyl]acetamide
CID 122150574
N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 47311961
ethyl 3-bromo-4-phenylmethoxybenzoate
CID 54793242
benzyl N-(4-acetylphenyl)carbamate
CID 2994007
ethyl 4-amino-3-phenylmethoxybenzoate
CID 79021529

Frequently Asked Questions

What is the IUPAC name of ethyl N-(5-acetyl-2-phenylmethoxyphenyl)carbamate?
The IUPAC name of ethyl N-(5-acetyl-2-phenylmethoxyphenyl)carbamate (CID 21435529) is ethyl N-(5-acetyl-2-phenylmethoxyphenyl)carbamate.
What is the SMILES notation for ethyl N-(5-acetyl-2-phenylmethoxyphenyl)carbamate?
The canonical SMILES for ethyl N-(5-acetyl-2-phenylmethoxyphenyl)carbamate is CCOC(=O)Nc1cc(C(C)=O)ccc1OCc1ccccc1.
What is the InChIKey of ethyl N-(5-acetyl-2-phenylmethoxyphenyl)carbamate?
The InChIKey is SIEQQTICRXXNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-3-22-18(21)19-16-11-15(13(2)20)9-10-17(16)23-12-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,19,21).
What are the key properties of ethyl N-(5-acetyl-2-phenylmethoxyphenyl)carbamate?
ethyl N-(5-acetyl-2-phenylmethoxyphenyl)carbamate has a molecular weight of 313.35 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5-acetyl-2-phenylmethoxyphenyl)carbamate is sourced from PubChem (CID 21435529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).