N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]-2-ethoxybenzamide

C23H28N2O5 — CID 1172463

IUPACN-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]-2-ethoxybenzamide
SMILESCCOc1cc(NC(=O)C2CC2)c(OCC)cc1NC(=O)c1ccccc1OCC
InChIInChI=1S/C23H28N2O5/c1-4-28-19-10-8-7-9-16(19)23(27)25-18-14-20(29-5-2)17(13-21(18)30-6-3)24-22(26)15-11-12-15/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyRNJISJRHZODXFS-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.48
Rot. Bonds10

About N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]-2-ethoxybenzamide

N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]-2-ethoxybenzamide (PubChem CID 1172463) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]-2-ethoxybenzamide
PubChem CID1172463
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC NameN-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]-2-ethoxybenzamide
SMILESCCOc1cc(NC(=O)C2CC2)c(OCC)cc1NC(=O)c1ccccc1OCC
InChIInChI=1S/C23H28N2O5/c1-4-28-19-10-8-7-9-16(19)23(27)25-18-14-20(29-5-2)17(13-21(18)30-6-3)24-22(26)15-11-12-15/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyRNJISJRHZODXFS-UHFFFAOYSA-N
XLogP4.48
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]-2-ethoxybenzamide?
The IUPAC name of N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]-2-ethoxybenzamide (CID 1172463) is N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]-2-ethoxybenzamide?
The canonical SMILES for N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]-2-ethoxybenzamide is CCOc1cc(NC(=O)C2CC2)c(OCC)cc1NC(=O)c1ccccc1OCC.
What is the InChIKey of N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]-2-ethoxybenzamide?
The InChIKey is RNJISJRHZODXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-4-28-19-10-8-7-9-16(19)23(27)25-18-14-20(29-5-2)17(13-21(18)30-6-3)24-22(26)15-11-12-15/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]-2-ethoxybenzamide?
N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]-2-ethoxybenzamide has a molecular weight of 412.49 g/mol, XLogP of 4.48, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]-2-ethoxybenzamide is sourced from PubChem (CID 1172463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).