N-cyclopropyl-3,4,5-triethoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide

C25H32N2O5 — CID 33351847

IUPACN-cyclopropyl-3,4,5-triethoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
SMILESCCOc1cc(C(=O)N(Cc2ccc(C(=O)NC)cc2)C2CC2)cc(OCC)c1OCC
InChIInChI=1S/C25H32N2O5/c1-5-30-21-14-19(15-22(31-6-2)23(21)32-7-3)25(29)27(20-12-13-20)16-17-8-10-18(11-9-17)24(28)26-4/h8-11,14-15,20H,5-7,12-13,16H2,1-4H3,(H,26,28)
InChIKeyLHMHEQJTHOHIRV-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.05
Rot. Bonds11

About N-cyclopropyl-3,4,5-triethoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide

N-cyclopropyl-3,4,5-triethoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide (PubChem CID 33351847) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is N-cyclopropyl-3,4,5-triethoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3,4,5-triethoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
PubChem CID33351847
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC NameN-cyclopropyl-3,4,5-triethoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
SMILESCCOc1cc(C(=O)N(Cc2ccc(C(=O)NC)cc2)C2CC2)cc(OCC)c1OCC
InChIInChI=1S/C25H32N2O5/c1-5-30-21-14-19(15-22(31-6-2)23(21)32-7-3)25(29)27(20-12-13-20)16-17-8-10-18(11-9-17)24(28)26-4/h8-11,14-15,20H,5-7,12-13,16H2,1-4H3,(H,26,28)
InChIKeyLHMHEQJTHOHIRV-UHFFFAOYSA-N
XLogP4.05
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[benzoyl(cyclopropyl)amino]methyl]-N-methylbenzamide
CID 33351912
N-cyclopropyl-4-(difluoromethoxy)-3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 33349377
5-bromo-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 33352211
4-[[cyclopropyl-(4-methylsulfonylbenzoyl)amino]methyl]-N-methylbenzamide
CID 33351444
4-chloro-N-cyclopropyl-3-iodo-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 39881157
N-cyclopropyl-3,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 39881162
4-[[[2-(2-butan-2-ylphenoxy)acetyl]-cyclopropylamino]methyl]-N-methylbenzamide
CID 46565913
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 33339391
N-cyclopropyl-5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 33351813
4-[[cyclopropyl-[4-(trifluoromethylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide
CID 37154016
4-[[[2-(4-bromo-2-fluorophenoxy)acetyl]-cyclopropylamino]methyl]-N-methylbenzamide
CID 30797391
5-bromo-2-chloro-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 33352305

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3,4,5-triethoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide?
The IUPAC name of N-cyclopropyl-3,4,5-triethoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide (CID 33351847) is N-cyclopropyl-3,4,5-triethoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-3,4,5-triethoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-3,4,5-triethoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide is CCOc1cc(C(=O)N(Cc2ccc(C(=O)NC)cc2)C2CC2)cc(OCC)c1OCC.
What is the InChIKey of N-cyclopropyl-3,4,5-triethoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide?
The InChIKey is LHMHEQJTHOHIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-5-30-21-14-19(15-22(31-6-2)23(21)32-7-3)25(29)27(20-12-13-20)16-17-8-10-18(11-9-17)24(28)26-4/h8-11,14-15,20H,5-7,12-13,16H2,1-4H3,(H,26,28).
What are the key properties of N-cyclopropyl-3,4,5-triethoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide?
N-cyclopropyl-3,4,5-triethoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide has a molecular weight of 440.54 g/mol, XLogP of 4.05, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3,4,5-triethoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 33351847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).