(2-amino-2-oxoethyl) 4-(decylamino)benzoate

C19H30N2O3 — CID 23457837

IUPAC(2-amino-2-oxoethyl) 4-(decylamino)benzoate
SMILESCCCCCCCCCCNc1ccc(C(=O)OCC(N)=O)cc1
InChIInChI=1S/C19H30N2O3/c1-2-3-4-5-6-7-8-9-14-21-17-12-10-16(11-13-17)19(23)24-15-18(20)22/h10-13,21H,2-9,14-15H2,1H3,(H2,20,22)
InChIKeyHYMBTAVCYFUJEP-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.88
Rot. Bonds13

About (2-amino-2-oxoethyl) 4-(decylamino)benzoate

(2-amino-2-oxoethyl) 4-(decylamino)benzoate (PubChem CID 23457837) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 4-(decylamino)benzoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 4-(decylamino)benzoate
PubChem CID23457837
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name(2-amino-2-oxoethyl) 4-(decylamino)benzoate
SMILESCCCCCCCCCCNc1ccc(C(=O)OCC(N)=O)cc1
InChIInChI=1S/C19H30N2O3/c1-2-3-4-5-6-7-8-9-14-21-17-12-10-16(11-13-17)19(23)24-15-18(20)22/h10-13,21H,2-9,14-15H2,1H3,(H2,20,22)
InChIKeyHYMBTAVCYFUJEP-UHFFFAOYSA-N
XLogP3.88
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(hexadecylamino)benzoyl]oxyacetic acid
CID 13020106
(2-amino-2-oxoethyl) 4-(14-methylpentadecylamino)benzoate
CID 54443563
4-hydroxybutyl 4-(hexadecylamino)benzoate
CID 13019378
(3-ethoxy-3-oxopropyl) 4-(hexadecylamino)benzoate
CID 23457838
trimethylsilyl 4-(hexadecylamino)benzoate
CID 91735797
ethyl 4-[2-[4-(pentylamino)phenyl]ethynyl]benzoate
CID 163602780
2-ethylhexyl 4-(nonylamino)benzoate
CID 152623019
[2-[4-(hexadecylamino)benzoyl]oxy-3-hydroxypropyl] 4-(hexadecylamino)benzoate
CID 13255327
2-(methylamino)ethyl 4-(butylamino)benzoate
CID 129194596
(4-ethoxy-4-oxobutan-2-yl) 4-(decylamino)benzoate
CID 23457810
4-(heptylamino)-N-propan-2-ylbenzamide
CID 60935201
4-(pentylamino)benzoate
CID 53422656

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 4-(decylamino)benzoate?
The IUPAC name of (2-amino-2-oxoethyl) 4-(decylamino)benzoate (CID 23457837) is (2-amino-2-oxoethyl) 4-(decylamino)benzoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 4-(decylamino)benzoate?
The canonical SMILES for (2-amino-2-oxoethyl) 4-(decylamino)benzoate is CCCCCCCCCCNc1ccc(C(=O)OCC(N)=O)cc1.
What is the InChIKey of (2-amino-2-oxoethyl) 4-(decylamino)benzoate?
The InChIKey is HYMBTAVCYFUJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-2-3-4-5-6-7-8-9-14-21-17-12-10-16(11-13-17)19(23)24-15-18(20)22/h10-13,21H,2-9,14-15H2,1H3,(H2,20,22).
What are the key properties of (2-amino-2-oxoethyl) 4-(decylamino)benzoate?
(2-amino-2-oxoethyl) 4-(decylamino)benzoate has a molecular weight of 334.46 g/mol, XLogP of 3.88, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 4-(decylamino)benzoate is sourced from PubChem (CID 23457837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).