butyl 4-[[2-(propylamino)acetyl]amino]benzoate

C16H24N2O3 — CID 60648371

IUPACbutyl 4-[[2-(propylamino)acetyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)CNCCC)cc1
InChIInChI=1S/C16H24N2O3/c1-3-5-11-21-16(20)13-6-8-14(9-7-13)18-15(19)12-17-10-4-2/h6-9,17H,3-5,10-12H2,1-2H3,(H,18,19)
InChIKeyFCNAHLQKIHSXAO-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.58
Rot. Bonds9

About butyl 4-[[2-(propylamino)acetyl]amino]benzoate

butyl 4-[[2-(propylamino)acetyl]amino]benzoate (PubChem CID 60648371) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is butyl 4-[[2-(propylamino)acetyl]amino]benzoate.

Molecular Properties

Compound Namebutyl 4-[[2-(propylamino)acetyl]amino]benzoate
PubChem CID60648371
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namebutyl 4-[[2-(propylamino)acetyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)CNCCC)cc1
InChIInChI=1S/C16H24N2O3/c1-3-5-11-21-16(20)13-6-8-14(9-7-13)18-15(19)12-17-10-4-2/h6-9,17H,3-5,10-12H2,1-2H3,(H,18,19)
InChIKeyFCNAHLQKIHSXAO-UHFFFAOYSA-N
XLogP2.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.58
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

ethyl 4-[[2-(pentylamino)acetyl]amino]benzoate
CID 109006003
butyl 4-[(2-isocyanoacetyl)amino]benzoate
CID 58722505
butyl 4-(decanoylamino)benzoate
CID 3404776
butyl 4-[(2-methoxyacetyl)amino]benzoate
CID 19178350
butyl 4-[(2-cyanoacetyl)amino]benzoate
CID 3578715
ethyl 4-[[2-(2-methoxyethylamino)acetyl]amino]benzoate;hydrochloride
CID 119672462
butyl 4-[3-[3-(4-butoxycarbonylanilino)-3-oxopropyl]sulfanylpropanoylamino]benzoate
CID 4046544
propyl 4-[[2-(4-butoxyanilino)acetyl]amino]benzoate
CID 54820220
ethyl 4-[3-(propylamino)propanoylamino]benzoate
CID 109011620
propyl 4-[[2-(methylamino)acetyl]amino]benzoate
CID 54821114
butyl 4-[[2-(4-nitroanilino)-2-oxoethyl]amino]benzoate
CID 9084232
N-[4-[[2-(propylamino)acetyl]amino]phenyl]propanamide
CID 54818859

Frequently Asked Questions

What is the IUPAC name of butyl 4-[[2-(propylamino)acetyl]amino]benzoate?
The IUPAC name of butyl 4-[[2-(propylamino)acetyl]amino]benzoate (CID 60648371) is butyl 4-[[2-(propylamino)acetyl]amino]benzoate.
What is the SMILES notation for butyl 4-[[2-(propylamino)acetyl]amino]benzoate?
The canonical SMILES for butyl 4-[[2-(propylamino)acetyl]amino]benzoate is CCCCOC(=O)c1ccc(NC(=O)CNCCC)cc1.
What is the InChIKey of butyl 4-[[2-(propylamino)acetyl]amino]benzoate?
The InChIKey is FCNAHLQKIHSXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-5-11-21-16(20)13-6-8-14(9-7-13)18-15(19)12-17-10-4-2/h6-9,17H,3-5,10-12H2,1-2H3,(H,18,19).
What are the key properties of butyl 4-[[2-(propylamino)acetyl]amino]benzoate?
butyl 4-[[2-(propylamino)acetyl]amino]benzoate has a molecular weight of 292.38 g/mol, XLogP of 2.58, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[[2-(propylamino)acetyl]amino]benzoate is sourced from PubChem (CID 60648371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).