methyl 2-[[2-[acetyl(butyl)amino]acetyl]amino]benzoate

C16H22N2O4 — CID 113158758

IUPACmethyl 2-[[2-[acetyl(butyl)amino]acetyl]amino]benzoate
SMILESCCCCN(CC(=O)Nc1ccccc1C(=O)OC)C(C)=O
InChIInChI=1S/C16H22N2O4/c1-4-5-10-18(12(2)19)11-15(20)17-14-9-7-6-8-13(14)16(21)22-3/h6-9H,4-5,10-11H2,1-3H3,(H,17,20)
InChIKeyFQIRKJGLXSBQEP-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.06
Rot. Bonds7

About methyl 2-[[2-[acetyl(butyl)amino]acetyl]amino]benzoate

methyl 2-[[2-[acetyl(butyl)amino]acetyl]amino]benzoate (PubChem CID 113158758) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is methyl 2-[[2-[acetyl(butyl)amino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[acetyl(butyl)amino]acetyl]amino]benzoate
PubChem CID113158758
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Namemethyl 2-[[2-[acetyl(butyl)amino]acetyl]amino]benzoate
SMILESCCCCN(CC(=O)Nc1ccccc1C(=O)OC)C(C)=O
InChIInChI=1S/C16H22N2O4/c1-4-5-10-18(12(2)19)11-15(20)17-14-9-7-6-8-13(14)16(21)22-3/h6-9H,4-5,10-11H2,1-3H3,(H,17,20)
InChIKeyFQIRKJGLXSBQEP-UHFFFAOYSA-N
XLogP2.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-[butyl(propyl)amino]-2-oxoacetyl]amino]benzoate
CID 108512395
methyl 2-[3-[acetyl(3-methoxypropyl)amino]propanoylamino]benzoate
CID 113117202
2-[acetyl(pentyl)amino]-N-(2-bromophenyl)acetamide
CID 113166810
methyl 2-[[butyl(methyl)carbamoyl]amino]benzoate
CID 3539117
methyl 2-[[2-[acetyl(tert-butyl)amino]acetyl]amino]benzoate
CID 113166201
methyl 2-[[2-[ethylsulfonyl(methyl)amino]acetyl]amino]benzoate
CID 94499210
methyl 2-[[2-(N-acetyl-2-ethoxycarbonylanilino)acetyl]amino]benzoate
CID 113180607
ethyl 2-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]benzoate
CID 84570057
2-[acetyl(butyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113158798
ethyl 2-[[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate
CID 113164779
methyl 2-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate
CID 108512458
2-[acetyl(butyl)amino]-N-(4-methylphenyl)acetamide
CID 113158704

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[acetyl(butyl)amino]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[acetyl(butyl)amino]acetyl]amino]benzoate (CID 113158758) is methyl 2-[[2-[acetyl(butyl)amino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[acetyl(butyl)amino]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[acetyl(butyl)amino]acetyl]amino]benzoate is CCCCN(CC(=O)Nc1ccccc1C(=O)OC)C(C)=O.
What is the InChIKey of methyl 2-[[2-[acetyl(butyl)amino]acetyl]amino]benzoate?
The InChIKey is FQIRKJGLXSBQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-4-5-10-18(12(2)19)11-15(20)17-14-9-7-6-8-13(14)16(21)22-3/h6-9H,4-5,10-11H2,1-3H3,(H,17,20).
What are the key properties of methyl 2-[[2-[acetyl(butyl)amino]acetyl]amino]benzoate?
methyl 2-[[2-[acetyl(butyl)amino]acetyl]amino]benzoate has a molecular weight of 306.36 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[acetyl(butyl)amino]acetyl]amino]benzoate is sourced from PubChem (CID 113158758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).