ethyl 2-[naphthalene-1-carbonyl-(naphthalene-1-carbonylamino)amino]acetate

C26H22N2O4 — CID 5222454

IUPACethyl 2-[naphthalene-1-carbonyl-(naphthalene-1-carbonylamino)amino]acetate
SMILESCCOC(=O)CN(NC(=O)c1cccc2ccccc12)C(=O)c1cccc2ccccc12
InChIInChI=1S/C26H22N2O4/c1-2-32-24(29)17-28(26(31)23-16-8-12-19-10-4-6-14-21(19)23)27-25(30)22-15-7-11-18-9-3-5-13-20(18)22/h3-16H,2,17H2,1H3,(H,27,30)
InChIKeyAHTAEUPDUFZJNW-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.34
Rot. Bonds5

About ethyl 2-[naphthalene-1-carbonyl-(naphthalene-1-carbonylamino)amino]acetate

ethyl 2-[naphthalene-1-carbonyl-(naphthalene-1-carbonylamino)amino]acetate (PubChem CID 5222454) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is ethyl 2-[naphthalene-1-carbonyl-(naphthalene-1-carbonylamino)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[naphthalene-1-carbonyl-(naphthalene-1-carbonylamino)amino]acetate
PubChem CID5222454
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC Nameethyl 2-[naphthalene-1-carbonyl-(naphthalene-1-carbonylamino)amino]acetate
SMILESCCOC(=O)CN(NC(=O)c1cccc2ccccc12)C(=O)c1cccc2ccccc12
InChIInChI=1S/C26H22N2O4/c1-2-32-24(29)17-28(26(31)23-16-8-12-19-10-4-6-14-21(19)23)27-25(30)22-15-7-11-18-9-3-5-13-20(18)22/h3-16H,2,17H2,1H3,(H,27,30)
InChIKeyAHTAEUPDUFZJNW-UHFFFAOYSA-N
XLogP4.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(naphthalene-1-carbonylamino)acetate
CID 19789843
ethane;N-ethylnaphthalene-1-carboxamide;propane
CID 144944456
pentyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate
CID 91722124
2-methylpropyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate
CID 91722119
ethyl 5-[2-(naphthalene-1-carbonylamino)ethyl]naphthalene-1-carboxylate
CID 123438234
ethyl (E)-3-[4-(naphthalene-1-carbonylamino)phenyl]prop-2-enoate
CID 27902050
N-(2-amino-2-oxoethyl)naphthalene-1-carboxamide
CID 4059241
ethyl 2-[(2-hydroxybenzoyl)-methylamino]acetate
CID 60584835
ethyl 2-amino-3,3-dinaphthalen-1-ylprop-2-enoate
CID 175236588
ethyl 2-[methyl-(2-methylbenzoyl)amino]acetate
CID 54785112
N-[2-(dimethylamino)ethyl]-N-methylnaphthalene-1-carboxamide
CID 110483893
ethyl 2-[benzyl(naphthalene-1-carbonyl)amino]benzoate
CID 11690046

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[naphthalene-1-carbonyl-(naphthalene-1-carbonylamino)amino]acetate?
The IUPAC name of ethyl 2-[naphthalene-1-carbonyl-(naphthalene-1-carbonylamino)amino]acetate (CID 5222454) is ethyl 2-[naphthalene-1-carbonyl-(naphthalene-1-carbonylamino)amino]acetate.
What is the SMILES notation for ethyl 2-[naphthalene-1-carbonyl-(naphthalene-1-carbonylamino)amino]acetate?
The canonical SMILES for ethyl 2-[naphthalene-1-carbonyl-(naphthalene-1-carbonylamino)amino]acetate is CCOC(=O)CN(NC(=O)c1cccc2ccccc12)C(=O)c1cccc2ccccc12.
What is the InChIKey of ethyl 2-[naphthalene-1-carbonyl-(naphthalene-1-carbonylamino)amino]acetate?
The InChIKey is AHTAEUPDUFZJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4/c1-2-32-24(29)17-28(26(31)23-16-8-12-19-10-4-6-14-21(19)23)27-25(30)22-15-7-11-18-9-3-5-13-20(18)22/h3-16H,2,17H2,1H3,(H,27,30).
What are the key properties of ethyl 2-[naphthalene-1-carbonyl-(naphthalene-1-carbonylamino)amino]acetate?
ethyl 2-[naphthalene-1-carbonyl-(naphthalene-1-carbonylamino)amino]acetate has a molecular weight of 426.47 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[naphthalene-1-carbonyl-(naphthalene-1-carbonylamino)amino]acetate is sourced from PubChem (CID 5222454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).