[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-[(3-methyl-4-nitrobenzoyl)amino]acetate

C24H23N3O6 — CID 2401888

IUPAC[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-[(3-methyl-4-nitrobenzoyl)amino]acetate
SMILESCCN(C(=O)COC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1cccc2ccccc12
InChIInChI=1S/C24H23N3O6/c1-3-26(21-10-6-8-17-7-4-5-9-19(17)21)22(28)15-33-23(29)14-25-24(30)18-11-12-20(27(31)32)16(2)13-18/h4-13H,3,14-15H2,1-2H3,(H,25,30)
InChIKeyABARYFKCFCFUSD-UHFFFAOYSA-N
MW449.46 g/mol
LogP3.38
Rot. Bonds8

About [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-[(3-methyl-4-nitrobenzoyl)amino]acetate

[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-[(3-methyl-4-nitrobenzoyl)amino]acetate (PubChem CID 2401888) has the molecular formula C24H23N3O6 and a molecular weight of 449.46 g/mol. Its IUPAC name is [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-[(3-methyl-4-nitrobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-[(3-methyl-4-nitrobenzoyl)amino]acetate
PubChem CID2401888
Molecular FormulaC24H23N3O6
Molecular Weight449.46 g/mol
Exact Mass449.16
IUPAC Name[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-[(3-methyl-4-nitrobenzoyl)amino]acetate
SMILESCCN(C(=O)COC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1cccc2ccccc12
InChIInChI=1S/C24H23N3O6/c1-3-26(21-10-6-8-17-7-4-5-9-19(17)21)22(28)15-33-23(29)14-25-24(30)18-11-12-20(27(31)32)16(2)13-18/h4-13H,3,14-15H2,1-2H3,(H,25,30)
InChIKeyABARYFKCFCFUSD-UHFFFAOYSA-N
XLogP3.38
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(diethylamino)-2-oxoethyl] 2-[(4-chloro-3-nitrobenzoyl)amino]acetate
CID 7877103
ethyl 2-[(3-fluoro-4-nitrobenzoyl)amino]acetate
CID 62680737
[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-[(3-methyl-4-nitrobenzoyl)amino]acetate
CID 4002528
2-[(3-methyl-4-nitrobenzoyl)amino]acetate
CID 2404866
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoate
CID 2413931
ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 43007593
N-(2-amino-2-methylpropyl)-3-methyl-4-nitrobenzamide;hydrochloride
CID 119628423
ethyl 2-[(2-methyl-6-nitrobenzoyl)amino]acetate
CID 54920998
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 27323808
N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-nitrobenzamide
CID 4940815
N-[3-(diethylamino)propyl]-3-methyl-4-nitrobenzamide
CID 2163235
(2-naphthalen-1-yl-2-oxoethyl) 2-[(4-methylbenzoyl)amino]acetate
CID 40618352

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-[(3-methyl-4-nitrobenzoyl)amino]acetate?
The IUPAC name of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-[(3-methyl-4-nitrobenzoyl)amino]acetate (CID 2401888) is [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-[(3-methyl-4-nitrobenzoyl)amino]acetate.
What is the SMILES notation for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-[(3-methyl-4-nitrobenzoyl)amino]acetate?
The canonical SMILES for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-[(3-methyl-4-nitrobenzoyl)amino]acetate is CCN(C(=O)COC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1cccc2ccccc12.
What is the InChIKey of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-[(3-methyl-4-nitrobenzoyl)amino]acetate?
The InChIKey is ABARYFKCFCFUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O6/c1-3-26(21-10-6-8-17-7-4-5-9-19(17)21)22(28)15-33-23(29)14-25-24(30)18-11-12-20(27(31)32)16(2)13-18/h4-13H,3,14-15H2,1-2H3,(H,25,30).
What are the key properties of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-[(3-methyl-4-nitrobenzoyl)amino]acetate?
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-[(3-methyl-4-nitrobenzoyl)amino]acetate has a molecular weight of 449.46 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-[(3-methyl-4-nitrobenzoyl)amino]acetate is sourced from PubChem (CID 2401888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).