propyl 4-(2-benzamidopropanoylamino)benzoate

C20H22N2O4 — CID 55339167

IUPACpropyl 4-(2-benzamidopropanoylamino)benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)C(C)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H22N2O4/c1-3-13-26-20(25)16-9-11-17(12-10-16)22-18(23)14(2)21-19(24)15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeySKFAVDLZAMWZGK-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.01
Rot. Bonds7

About propyl 4-(2-benzamidopropanoylamino)benzoate

propyl 4-(2-benzamidopropanoylamino)benzoate (PubChem CID 55339167) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is propyl 4-(2-benzamidopropanoylamino)benzoate.

Molecular Properties

Compound Namepropyl 4-(2-benzamidopropanoylamino)benzoate
PubChem CID55339167
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Namepropyl 4-(2-benzamidopropanoylamino)benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)C(C)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H22N2O4/c1-3-13-26-20(25)16-9-11-17(12-10-16)22-18(23)14(2)21-19(24)15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeySKFAVDLZAMWZGK-UHFFFAOYSA-N
XLogP3.01
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 4-[2-(carbamoylamino)propanoylamino]benzoate
CID 43404049
propyl 4-[2-(methylamino)propanoylamino]benzoate
CID 60718902
propyl 2-benzamidopropanoate
CID 71628004
N-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide
CID 24639209
N-[(2S)-1-[4-(methoxymethyl)anilino]-1-oxopropan-2-yl]benzamide
CID 124854866
N-[1-[4-(4-ethoxyphenoxy)anilino]-1-oxopropan-2-yl]benzamide
CID 24636992
propyl 4-[2-[4-(2-phenylpropan-2-yl)phenoxy]propanoylamino]benzoate
CID 53266643
propyl 4-[[(2R)-2-aminopentanoyl]amino]benzoate
CID 103793905
ethyl 2-[[4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]benzoyl]amino]propanoate
CID 119806767
3-benzamidobutyl benzoate
CID 151154190
propyl 4-[[(2R)-2-(2,6-dimethylphenoxy)propanoyl]amino]benzoate
CID 9297307
propyl 4-[[2-(1-phenylethylamino)acetyl]amino]benzoate
CID 54814917

Frequently Asked Questions

What is the IUPAC name of propyl 4-(2-benzamidopropanoylamino)benzoate?
The IUPAC name of propyl 4-(2-benzamidopropanoylamino)benzoate (CID 55339167) is propyl 4-(2-benzamidopropanoylamino)benzoate.
What is the SMILES notation for propyl 4-(2-benzamidopropanoylamino)benzoate?
The canonical SMILES for propyl 4-(2-benzamidopropanoylamino)benzoate is CCCOC(=O)c1ccc(NC(=O)C(C)NC(=O)c2ccccc2)cc1.
What is the InChIKey of propyl 4-(2-benzamidopropanoylamino)benzoate?
The InChIKey is SKFAVDLZAMWZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-3-13-26-20(25)16-9-11-17(12-10-16)22-18(23)14(2)21-19(24)15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of propyl 4-(2-benzamidopropanoylamino)benzoate?
propyl 4-(2-benzamidopropanoylamino)benzoate has a molecular weight of 354.41 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(2-benzamidopropanoylamino)benzoate is sourced from PubChem (CID 55339167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).