N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide

C19H23NO3 — CID 53282891

IUPACN-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide
SMILESCCOc1ccc(CNC(=O)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C19H23NO3/c1-4-22-17-9-5-15(6-10-17)13-20-19(21)16-7-11-18(12-8-16)23-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,20,21)
InChIKeyLTUIMGSVNTYBHS-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.80
Rot. Bonds7

About N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide

N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide (PubChem CID 53282891) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide
PubChem CID53282891
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide
SMILESCCOc1ccc(CNC(=O)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C19H23NO3/c1-4-22-17-9-5-15(6-10-17)13-20-19(21)16-7-11-18(12-8-16)23-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,20,21)
InChIKeyLTUIMGSVNTYBHS-UHFFFAOYSA-N
XLogP3.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
4-(2-methylpropoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 43911075
4-(3-methylbutoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 43911086
N-[[4-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide
CID 60918064
3-chloro-4-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 100564569
4-N-(4-ethoxyphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046981
1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109046738
1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109046741
4-(propan-2-ylcarbamoylamino)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55829604
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
3-(2-ethoxyethoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 43911154
N-[(4-propan-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704146

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide (CID 53282891) is N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide is CCOc1ccc(CNC(=O)c2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide?
The InChIKey is LTUIMGSVNTYBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-4-22-17-9-5-15(6-10-17)13-20-19(21)16-7-11-18(12-8-16)23-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,20,21).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide?
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide has a molecular weight of 313.40 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 53282891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).