ethyl 2-[benzyl(naphthalene-1-carbonyl)amino]benzoate

C27H23NO3 — CID 11690046

IUPACethyl 2-[benzyl(naphthalene-1-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1N(Cc1ccccc1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C27H23NO3/c1-2-31-27(30)24-16-8-9-18-25(24)28(19-20-11-4-3-5-12-20)26(29)23-17-10-14-21-13-6-7-15-22(21)23/h3-18H,2,19H2,1H3
InChIKeyWQWWLVCMDJOTSJ-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.86
Rot. Bonds6

About ethyl 2-[benzyl(naphthalene-1-carbonyl)amino]benzoate

ethyl 2-[benzyl(naphthalene-1-carbonyl)amino]benzoate (PubChem CID 11690046) has the molecular formula C27H23NO3 and a molecular weight of 409.49 g/mol. Its IUPAC name is ethyl 2-[benzyl(naphthalene-1-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[benzyl(naphthalene-1-carbonyl)amino]benzoate
PubChem CID11690046
Molecular FormulaC27H23NO3
Molecular Weight409.49 g/mol
Exact Mass409.17
IUPAC Nameethyl 2-[benzyl(naphthalene-1-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1N(Cc1ccccc1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C27H23NO3/c1-2-31-27(30)24-16-8-9-18-25(24)28(19-20-11-4-3-5-12-20)26(29)23-17-10-14-21-13-6-7-15-22(21)23/h3-18H,2,19H2,1H3
InChIKeyWQWWLVCMDJOTSJ-UHFFFAOYSA-N
XLogP5.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[acetyl-[2-[benzyl(methyl)amino]-2-oxoethyl]amino]benzoate
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N-benzyl-N-tert-butylnaphthalene-1-carboxamide
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azane;ethyl 2-(dimethylamino)benzoate
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ethyl 2-[(2,5-dimethylthiophene-3-carbonyl)-ethylamino]benzoate
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[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-fluorobenzoate
CID 2512971
ethyl 5-[2-(naphthalene-1-carbonylamino)ethyl]naphthalene-1-carboxylate
CID 123438234
2-[benzyl-(2-carboxyphenyl)carbamoyl]phenolate
CID 54689408
ethyl 2-[acetyl(2-benzamidoethyl)amino]benzoate
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ethyl 4-[benzyl(ethyl)amino]benzo[h]quinoline-3-carboxylate
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ethyl 2-naphthalen-1-ylprop-2-enoate;2-naphthalen-1-ylprop-2-enoic acid
CID 162045658

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzyl(naphthalene-1-carbonyl)amino]benzoate?
The IUPAC name of ethyl 2-[benzyl(naphthalene-1-carbonyl)amino]benzoate (CID 11690046) is ethyl 2-[benzyl(naphthalene-1-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[benzyl(naphthalene-1-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 2-[benzyl(naphthalene-1-carbonyl)amino]benzoate is CCOC(=O)c1ccccc1N(Cc1ccccc1)C(=O)c1cccc2ccccc12.
What is the InChIKey of ethyl 2-[benzyl(naphthalene-1-carbonyl)amino]benzoate?
The InChIKey is WQWWLVCMDJOTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO3/c1-2-31-27(30)24-16-8-9-18-25(24)28(19-20-11-4-3-5-12-20)26(29)23-17-10-14-21-13-6-7-15-22(21)23/h3-18H,2,19H2,1H3.
What are the key properties of ethyl 2-[benzyl(naphthalene-1-carbonyl)amino]benzoate?
ethyl 2-[benzyl(naphthalene-1-carbonyl)amino]benzoate has a molecular weight of 409.49 g/mol, XLogP of 5.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzyl(naphthalene-1-carbonyl)amino]benzoate is sourced from PubChem (CID 11690046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).