N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]acetamide

C22H27N3O6 — CID 26798129

IUPACN-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]acetamide
SMILESCCOc1cc(C(=O)NNC(=O)c2ccc(NC(C)=O)cc2)cc(OCC)c1OCC
InChIInChI=1S/C22H27N3O6/c1-5-29-18-12-16(13-19(30-6-2)20(18)31-7-3)22(28)25-24-21(27)15-8-10-17(11-9-15)23-14(4)26/h8-13H,5-7H2,1-4H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyWRBSYNXOFMIOTC-UHFFFAOYSA-N
MW429.47 g/mol
LogP2.92
Rot. Bonds9

About N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]acetamide

N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]acetamide (PubChem CID 26798129) has the molecular formula C22H27N3O6 and a molecular weight of 429.47 g/mol. Its IUPAC name is N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]acetamide
PubChem CID26798129
Molecular FormulaC22H27N3O6
Molecular Weight429.47 g/mol
Exact Mass429.19
IUPAC NameN-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]acetamide
SMILESCCOc1cc(C(=O)NNC(=O)c2ccc(NC(C)=O)cc2)cc(OCC)c1OCC
InChIInChI=1S/C22H27N3O6/c1-5-29-18-12-16(13-19(30-6-2)20(18)31-7-3)22(28)25-24-21(27)15-8-10-17(11-9-15)23-14(4)26/h8-13H,5-7H2,1-4H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyWRBSYNXOFMIOTC-UHFFFAOYSA-N
XLogP2.92
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 24658864
N-[(4-acetamidophenyl)carbamothioyl]-3,4,5-triethoxybenzamide
CID 2899704
ethyl 4-[[(3,4,5-triethoxybenzoyl)amino]carbamothioylamino]benzoate
CID 4282822
3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide
CID 24537475
N-[4-(dimethylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 7944350
N-[4-[acetyl(methyl)amino]phenyl]-3,4,5-triethoxybenzamide
CID 1346461
N-(4-cyanophenyl)-3,4,5-triethoxybenzamide
CID 1129663
3,4,5-triethoxy-N'-(4-propan-2-ylsulfanylbenzoyl)benzohydrazide
CID 55834203
3,4,5-triethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
CID 43002106
3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008
N-[4-(diethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 3586249
N'-(2-chlorobenzoyl)-3,4,5-triethoxybenzohydrazide
CID 7964784

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]acetamide (CID 26798129) is N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]acetamide is CCOc1cc(C(=O)NNC(=O)c2ccc(NC(C)=O)cc2)cc(OCC)c1OCC.
What is the InChIKey of N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]acetamide?
The InChIKey is WRBSYNXOFMIOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O6/c1-5-29-18-12-16(13-19(30-6-2)20(18)31-7-3)22(28)25-24-21(27)15-8-10-17(11-9-15)23-14(4)26/h8-13H,5-7H2,1-4H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]acetamide?
N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]acetamide has a molecular weight of 429.47 g/mol, XLogP of 2.92, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]acetamide is sourced from PubChem (CID 26798129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).