benzyl 2-(ethoxycarbonylamino)-6-ethylbenzoate

C19H21NO4 — CID 70462844

IUPACbenzyl 2-(ethoxycarbonylamino)-6-ethylbenzoate
SMILESCCOC(=O)Nc1cccc(CC)c1C(=O)OCc1ccccc1
InChIInChI=1S/C19H21NO4/c1-3-15-11-8-12-16(20-19(22)23-4-2)17(15)18(21)24-13-14-9-6-5-7-10-14/h5-12H,3-4,13H2,1-2H3,(H,20,22)
InChIKeyLHRSRQCZRXQHOZ-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.17
Rot. Bonds6

About benzyl 2-(ethoxycarbonylamino)-6-ethylbenzoate

benzyl 2-(ethoxycarbonylamino)-6-ethylbenzoate (PubChem CID 70462844) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is benzyl 2-(ethoxycarbonylamino)-6-ethylbenzoate.

Molecular Properties

Compound Namebenzyl 2-(ethoxycarbonylamino)-6-ethylbenzoate
PubChem CID70462844
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namebenzyl 2-(ethoxycarbonylamino)-6-ethylbenzoate
SMILESCCOC(=O)Nc1cccc(CC)c1C(=O)OCc1ccccc1
InChIInChI=1S/C19H21NO4/c1-3-15-11-8-12-16(20-19(22)23-4-2)17(15)18(21)24-13-14-9-6-5-7-10-14/h5-12H,3-4,13H2,1-2H3,(H,20,22)
InChIKeyLHRSRQCZRXQHOZ-UHFFFAOYSA-N
XLogP4.17
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pentyl-6-(phenylmethoxycarbonylamino)benzoic acid
CID 19845780
benzyl N-(2-ethyl-5-methylphenyl)carbamate
CID 174585145
2-ethyl-6-(propoxycarbonylamino)benzoic acid
CID 19845860
3-[2-hydroxy-3-(phenylmethoxycarbonylamino)phenyl]propanoic acid
CID 54120837
ethyl 7-(phenylmethoxycarbonylamino)-1H-indole-2-carboxylate
CID 86612303
2-O-benzyl 1-O-ethyl 3,4,5,6-tetrabromobenzene-1,2-dicarboxylate
CID 142686765
benzyl 2-(2-ethoxycarbonylphenyl)-6-methylbenzoate
CID 170993079
[2-ethyl-3-(phenylmethoxycarbonylamino)phenyl] acetate
CID 67136158
benzyl N-(2-methyl-3-pyridinyl)carbamate
CID 10514300
ethane;ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxyphenyl]acetate
CID 156725209
ethyl 2,6-dimethyl-5-(phenylmethoxycarbonylamino)pyridine-3-carboxylate
CID 4860708
benzyl N-(2-iodophenyl)carbamate
CID 10959121

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(ethoxycarbonylamino)-6-ethylbenzoate?
The IUPAC name of benzyl 2-(ethoxycarbonylamino)-6-ethylbenzoate (CID 70462844) is benzyl 2-(ethoxycarbonylamino)-6-ethylbenzoate.
What is the SMILES notation for benzyl 2-(ethoxycarbonylamino)-6-ethylbenzoate?
The canonical SMILES for benzyl 2-(ethoxycarbonylamino)-6-ethylbenzoate is CCOC(=O)Nc1cccc(CC)c1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(ethoxycarbonylamino)-6-ethylbenzoate?
The InChIKey is LHRSRQCZRXQHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-15-11-8-12-16(20-19(22)23-4-2)17(15)18(21)24-13-14-9-6-5-7-10-14/h5-12H,3-4,13H2,1-2H3,(H,20,22).
What are the key properties of benzyl 2-(ethoxycarbonylamino)-6-ethylbenzoate?
benzyl 2-(ethoxycarbonylamino)-6-ethylbenzoate has a molecular weight of 327.38 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(ethoxycarbonylamino)-6-ethylbenzoate is sourced from PubChem (CID 70462844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).