propyl 4-[[4-(acetamidomethyl)benzoyl]amino]benzoate

C20H22N2O4 — CID 18195951

IUPACpropyl 4-[[4-(acetamidomethyl)benzoyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2ccc(CNC(C)=O)cc2)cc1
InChIInChI=1S/C20H22N2O4/c1-3-12-26-20(25)17-8-10-18(11-9-17)22-19(24)16-6-4-15(5-7-16)13-21-14(2)23/h4-11H,3,12-13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyTVYDHUNKVNVUMQ-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.14
Rot. Bonds7

About propyl 4-[[4-(acetamidomethyl)benzoyl]amino]benzoate

propyl 4-[[4-(acetamidomethyl)benzoyl]amino]benzoate (PubChem CID 18195951) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is propyl 4-[[4-(acetamidomethyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[4-(acetamidomethyl)benzoyl]amino]benzoate
PubChem CID18195951
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Namepropyl 4-[[4-(acetamidomethyl)benzoyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2ccc(CNC(C)=O)cc2)cc1
InChIInChI=1S/C20H22N2O4/c1-3-12-26-20(25)17-8-10-18(11-9-17)22-19(24)16-6-4-15(5-7-16)13-21-14(2)23/h4-11H,3,12-13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyTVYDHUNKVNVUMQ-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 4-[(1-oxidopyridin-1-ium-4-carbonyl)amino]benzoate
CID 78780070
4-(acetamidomethyl)-N-(4-phenylphenyl)benzamide
CID 78805930
propyl 4-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]benzoate
CID 26199145
propyl 4-(pyrimidine-5-carbonylamino)benzoate
CID 104625950
4-(acetamidomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]benzamide
CID 18140391
propyl 4-[(4-propan-2-ylsulfonylbenzoyl)amino]benzoate
CID 55755393
propyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate
CID 51331436
propyl 4-[[2-(methylamino)acetyl]amino]benzoate
CID 54821114
4-(acetamidomethyl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide
CID 18106356
butyl 4-[(4-iodobenzoyl)amino]benzoate
CID 2164958
4-(acetamidomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 18194972
ethyl 4-[(4-acetylbenzoyl)amino]benzoate
CID 4687806

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[4-(acetamidomethyl)benzoyl]amino]benzoate?
The IUPAC name of propyl 4-[[4-(acetamidomethyl)benzoyl]amino]benzoate (CID 18195951) is propyl 4-[[4-(acetamidomethyl)benzoyl]amino]benzoate.
What is the SMILES notation for propyl 4-[[4-(acetamidomethyl)benzoyl]amino]benzoate?
The canonical SMILES for propyl 4-[[4-(acetamidomethyl)benzoyl]amino]benzoate is CCCOC(=O)c1ccc(NC(=O)c2ccc(CNC(C)=O)cc2)cc1.
What is the InChIKey of propyl 4-[[4-(acetamidomethyl)benzoyl]amino]benzoate?
The InChIKey is TVYDHUNKVNVUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-3-12-26-20(25)17-8-10-18(11-9-17)22-19(24)16-6-4-15(5-7-16)13-21-14(2)23/h4-11H,3,12-13H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of propyl 4-[[4-(acetamidomethyl)benzoyl]amino]benzoate?
propyl 4-[[4-(acetamidomethyl)benzoyl]amino]benzoate has a molecular weight of 354.41 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[4-(acetamidomethyl)benzoyl]amino]benzoate is sourced from PubChem (CID 18195951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).