ethyl 3-(3-benzamidobutanoylamino)benzoate

C20H22N2O4 — CID 46612606

IUPACethyl 3-(3-benzamidobutanoylamino)benzoate
SMILESCCOC(=O)c1cccc(NC(=O)CC(C)NC(=O)c2ccccc2)c1
InChIInChI=1S/C20H22N2O4/c1-3-26-20(25)16-10-7-11-17(13-16)22-18(23)12-14(2)21-19(24)15-8-5-4-6-9-15/h4-11,13-14H,3,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyOLWGCHRIZXBMIS-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.01
Rot. Bonds7

About ethyl 3-(3-benzamidobutanoylamino)benzoate

ethyl 3-(3-benzamidobutanoylamino)benzoate (PubChem CID 46612606) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is ethyl 3-(3-benzamidobutanoylamino)benzoate.

Molecular Properties

Compound Nameethyl 3-(3-benzamidobutanoylamino)benzoate
PubChem CID46612606
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Nameethyl 3-(3-benzamidobutanoylamino)benzoate
SMILESCCOC(=O)c1cccc(NC(=O)CC(C)NC(=O)c2ccccc2)c1
InChIInChI=1S/C20H22N2O4/c1-3-26-20(25)16-10-7-11-17(13-16)22-18(23)12-14(2)21-19(24)15-8-5-4-6-9-15/h4-11,13-14H,3,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyOLWGCHRIZXBMIS-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

N-[4-(3-methoxyanilino)-4-oxobutan-2-yl]benzamide
CID 51194801
ethyl 3-[(3-acetamido-3-phenylpropanoyl)amino]benzoate
CID 55394890
3-[[3-(ethoxycarbonylamino)benzoyl]amino]butanoic acid
CID 146128644
N-[(2R)-4-(4-anilinoanilino)-4-oxobutan-2-yl]benzamide
CID 25408367
N-[4-(3-nitroanilino)-4-oxobutan-2-yl]benzamide
CID 51194826
ethyl 3-(2-methylpropanoylamino)benzoate
CID 836905
ethyl 3-(3-oxobutanoylamino)benzoate
CID 18072873
ethyl 3-[(4-propan-2-ylbenzoyl)amino]benzoate
CID 1406449
ethyl 3-(2-phenylpropanoylamino)benzoate
CID 54084497
ethyl 3-acetamidobenzoate
CID 700589
ethyl 3-[[(2S)-4-phenylbutan-2-yl]carbamothioylamino]benzoate
CID 100662498
2-methylpropyl 3-benzamidobenzoate
CID 691358

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-benzamidobutanoylamino)benzoate?
The IUPAC name of ethyl 3-(3-benzamidobutanoylamino)benzoate (CID 46612606) is ethyl 3-(3-benzamidobutanoylamino)benzoate.
What is the SMILES notation for ethyl 3-(3-benzamidobutanoylamino)benzoate?
The canonical SMILES for ethyl 3-(3-benzamidobutanoylamino)benzoate is CCOC(=O)c1cccc(NC(=O)CC(C)NC(=O)c2ccccc2)c1.
What is the InChIKey of ethyl 3-(3-benzamidobutanoylamino)benzoate?
The InChIKey is OLWGCHRIZXBMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-3-26-20(25)16-10-7-11-17(13-16)22-18(23)12-14(2)21-19(24)15-8-5-4-6-9-15/h4-11,13-14H,3,12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of ethyl 3-(3-benzamidobutanoylamino)benzoate?
ethyl 3-(3-benzamidobutanoylamino)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 ethyl 3-(3-benzamidobutanoylamino)benzoate is sourced from PubChem (CID 46612606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).