ethyl 2-[benzoyl-[benzoyl(tert-butyl)amino]amino]acetate

C22H26N2O4 — CID 10571965

IUPACethyl 2-[benzoyl-[benzoyl(tert-butyl)amino]amino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccccc1)N(C(=O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H26N2O4/c1-5-28-19(25)16-23(20(26)17-12-8-6-9-13-17)24(22(2,3)4)21(27)18-14-10-7-11-15-18/h6-15H,5,16H2,1-4H3
InChIKeyLZMOJQGHFULENI-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.55
Rot. Bonds5

About ethyl 2-[benzoyl-[benzoyl(tert-butyl)amino]amino]acetate

ethyl 2-[benzoyl-[benzoyl(tert-butyl)amino]amino]acetate (PubChem CID 10571965) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is ethyl 2-[benzoyl-[benzoyl(tert-butyl)amino]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[benzoyl-[benzoyl(tert-butyl)amino]amino]acetate
PubChem CID10571965
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Nameethyl 2-[benzoyl-[benzoyl(tert-butyl)amino]amino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccccc1)N(C(=O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H26N2O4/c1-5-28-19(25)16-23(20(26)17-12-8-6-9-13-17)24(22(2,3)4)21(27)18-14-10-7-11-15-18/h6-15H,5,16H2,1-4H3
InChIKeyLZMOJQGHFULENI-UHFFFAOYSA-N
XLogP3.55
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl Hippurate
CID 226558
N-(1-Ethoxy-1-oxo-3-phenylpropan-2-yl)benzenecarboximidic acid
CID 209394
2-(5,7-dioxo-5,7-dihydro-6H-dibenzo[c,e]azepin-6-yl)ethyl propionate
CID 714766
[2-Oxo-2-(3-phenylpropylamino)ethyl] 2-benzamidoacetate
CID 3448368
ethyl [4-(4-methylphenyl)-1-oxophthalazin-2(1H)-yl]acetate
CID 723947
Cyanomethyl (benzoylamino)acetate
CID 2341321
Cyanomethyl 2-benzamidopropanoate
CID 21323655
Alanine, N-benzoyl-3-phenyl-, cyanomethyl ester, L-
CID 47313
N-(2-(2-(2-(Benzoylamino)ethoxy)ethoxy)ethyl)benzamide
CID 3369375
Ethyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetate
CID 697435
Ethyl 2-(4-benzyl-1-oxophthalazin-2-yl)acetate
CID 904181
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2358073

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzoyl-[benzoyl(tert-butyl)amino]amino]acetate?
The IUPAC name of ethyl 2-[benzoyl-[benzoyl(tert-butyl)amino]amino]acetate (CID 10571965) is ethyl 2-[benzoyl-[benzoyl(tert-butyl)amino]amino]acetate.
What is the SMILES notation for ethyl 2-[benzoyl-[benzoyl(tert-butyl)amino]amino]acetate?
The canonical SMILES for ethyl 2-[benzoyl-[benzoyl(tert-butyl)amino]amino]acetate is CCOC(=O)CN(C(=O)c1ccccc1)N(C(=O)c1ccccc1)C(C)(C)C.
What is the InChIKey of ethyl 2-[benzoyl-[benzoyl(tert-butyl)amino]amino]acetate?
The InChIKey is LZMOJQGHFULENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-5-28-19(25)16-23(20(26)17-12-8-6-9-13-17)24(22(2,3)4)21(27)18-14-10-7-11-15-18/h6-15H,5,16H2,1-4H3.
What are the key properties of ethyl 2-[benzoyl-[benzoyl(tert-butyl)amino]amino]acetate?
ethyl 2-[benzoyl-[benzoyl(tert-butyl)amino]amino]acetate has a molecular weight of 382.46 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzoyl-[benzoyl(tert-butyl)amino]amino]acetate is sourced from PubChem (CID 10571965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).