3,4,5-triethoxy-N-[(1-phenylcyclopropyl)methyl]benzamide

C23H29NO4 — CID 42145585

IUPAC3,4,5-triethoxy-N-[(1-phenylcyclopropyl)methyl]benzamide
SMILESCCOc1cc(C(=O)NCC2(c3ccccc3)CC2)cc(OCC)c1OCC
InChIInChI=1S/C23H29NO4/c1-4-26-19-14-17(15-20(27-5-2)21(19)28-6-3)22(25)24-16-23(12-13-23)18-10-8-7-9-11-18/h7-11,14-15H,4-6,12-13,16H2,1-3H3,(H,24,25)
InChIKeyAUZKOAYGFBYNEQ-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.34
Rot. Bonds10

About 3,4,5-triethoxy-N-[(1-phenylcyclopropyl)methyl]benzamide

3,4,5-triethoxy-N-[(1-phenylcyclopropyl)methyl]benzamide (PubChem CID 42145585) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[(1-phenylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[(1-phenylcyclopropyl)methyl]benzamide
PubChem CID42145585
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name3,4,5-triethoxy-N-[(1-phenylcyclopropyl)methyl]benzamide
SMILESCCOc1cc(C(=O)NCC2(c3ccccc3)CC2)cc(OCC)c1OCC
InChIInChI=1S/C23H29NO4/c1-4-26-19-14-17(15-20(27-5-2)21(19)28-6-3)22(25)24-16-23(12-13-23)18-10-8-7-9-11-18/h7-11,14-15H,4-6,12-13,16H2,1-3H3,(H,24,25)
InChIKeyAUZKOAYGFBYNEQ-UHFFFAOYSA-N
XLogP4.34
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 51317283
3,5-diacetamido-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 51111712
3-chloro-5-methoxy-N-[(1-phenylcyclopropyl)methyl]-4-propan-2-yloxybenzamide
CID 42145534
4-[[(3,4,5-triethoxybenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 120541564
2,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-4-carboxamide
CID 29293830
ethyl 3-oxo-3-[(1-phenylcyclopropyl)methylamino]propanoate
CID 110474208
4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 82546336
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4,5-trimethoxybenzamide
CID 42265991
3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 18153649
3,4,5-triethoxy-N-(2-phenylsulfanylethyl)benzamide
CID 27677815
N-(2-amino-2-phenylethyl)-3,4,5-triethoxybenzamide
CID 119527990
3,4,5-triethoxy-N-[(3-methoxythiolan-3-yl)methyl]benzamide
CID 90584342

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[(1-phenylcyclopropyl)methyl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[(1-phenylcyclopropyl)methyl]benzamide (CID 42145585) is 3,4,5-triethoxy-N-[(1-phenylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[(1-phenylcyclopropyl)methyl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[(1-phenylcyclopropyl)methyl]benzamide is CCOc1cc(C(=O)NCC2(c3ccccc3)CC2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[(1-phenylcyclopropyl)methyl]benzamide?
The InChIKey is AUZKOAYGFBYNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-4-26-19-14-17(15-20(27-5-2)21(19)28-6-3)22(25)24-16-23(12-13-23)18-10-8-7-9-11-18/h7-11,14-15H,4-6,12-13,16H2,1-3H3,(H,24,25).
What are the key properties of 3,4,5-triethoxy-N-[(1-phenylcyclopropyl)methyl]benzamide?
3,4,5-triethoxy-N-[(1-phenylcyclopropyl)methyl]benzamide has a molecular weight of 383.49 g/mol, XLogP of 4.34, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[(1-phenylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 42145585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).