propyl 2-morpholin-4-yl-5-(pentanoylamino)benzoate

C19H28N2O4 — CID 7328805

IUPACpropyl 2-morpholin-4-yl-5-(pentanoylamino)benzoate
SMILESCCCCC(=O)Nc1ccc(N2CCOCC2)c(C(=O)OCCC)c1
InChIInChI=1S/C19H28N2O4/c1-3-5-6-18(22)20-15-7-8-17(21-9-12-24-13-10-21)16(14-15)19(23)25-11-4-2/h7-8,14H,3-6,9-13H2,1-2H3,(H,20,22)
InChIKeyARUHEOALLCPTPB-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.22
Rot. Bonds8

About propyl 2-morpholin-4-yl-5-(pentanoylamino)benzoate

propyl 2-morpholin-4-yl-5-(pentanoylamino)benzoate (PubChem CID 7328805) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is propyl 2-morpholin-4-yl-5-(pentanoylamino)benzoate.

Molecular Properties

Compound Namepropyl 2-morpholin-4-yl-5-(pentanoylamino)benzoate
PubChem CID7328805
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Namepropyl 2-morpholin-4-yl-5-(pentanoylamino)benzoate
SMILESCCCCC(=O)Nc1ccc(N2CCOCC2)c(C(=O)OCCC)c1
InChIInChI=1S/C19H28N2O4/c1-3-5-6-18(22)20-15-7-8-17(21-9-12-24-13-10-21)16(14-15)19(23)25-11-4-2/h7-8,14H,3-6,9-13H2,1-2H3,(H,20,22)
InChIKeyARUHEOALLCPTPB-UHFFFAOYSA-N
XLogP3.22
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

propyl 5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 7328823
ethyl 5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate
CID 7328773
N-(4-morpholin-4-ylphenyl)pentanamide
CID 2765048
2-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-5-(pentanoylamino)benzoic acid
CID 50807118
ethyl 5-[(4-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 7328776
4-(3-carbamoyl-4-morpholin-4-ylanilino)-4-oxobutanoic acid
CID 26833116
propyl 5-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2-morpholin-4-ylbenzoate
CID 168559894
propyl 5-isocyanato-2-morpholin-4-ylbenzoate
CID 169353404
methyl 2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoate
CID 7328433
methyl 2-morpholin-4-yl-5-[(4-propoxybenzoyl)amino]benzoate
CID 7328734
ethyl 5-[(3,4-dimethylbenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 4903199
N-(3-methoxypropyl)-5-(pentanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 5149607

Frequently Asked Questions

What is the IUPAC name of propyl 2-morpholin-4-yl-5-(pentanoylamino)benzoate?
The IUPAC name of propyl 2-morpholin-4-yl-5-(pentanoylamino)benzoate (CID 7328805) is propyl 2-morpholin-4-yl-5-(pentanoylamino)benzoate.
What is the SMILES notation for propyl 2-morpholin-4-yl-5-(pentanoylamino)benzoate?
The canonical SMILES for propyl 2-morpholin-4-yl-5-(pentanoylamino)benzoate is CCCCC(=O)Nc1ccc(N2CCOCC2)c(C(=O)OCCC)c1.
What is the InChIKey of propyl 2-morpholin-4-yl-5-(pentanoylamino)benzoate?
The InChIKey is ARUHEOALLCPTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-3-5-6-18(22)20-15-7-8-17(21-9-12-24-13-10-21)16(14-15)19(23)25-11-4-2/h7-8,14H,3-6,9-13H2,1-2H3,(H,20,22).
What are the key properties of propyl 2-morpholin-4-yl-5-(pentanoylamino)benzoate?
propyl 2-morpholin-4-yl-5-(pentanoylamino)benzoate has a molecular weight of 348.44 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-morpholin-4-yl-5-(pentanoylamino)benzoate is sourced from PubChem (CID 7328805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).