ethane;4-ethyl-3-[2-(2-methoxy-4-propanoylphenyl)ethyl]benzamide

C25H37NO3 — CID 143067899

IUPACethane;4-ethyl-3-[2-(2-methoxy-4-propanoylphenyl)ethyl]benzamide
SMILESCC.CC.CCC(=O)c1ccc(CCc2cc(C(N)=O)ccc2CC)c(OC)c1
InChIInChI=1S/C21H25NO3.2C2H6/c1-4-14-6-11-18(21(22)24)12-16(14)9-7-15-8-10-17(19(23)5-2)13-20(15)25-3;2*1-2/h6,8,10-13H,4-5,7,9H2,1-3H3,(H2,22,24);2*1-2H3
InChIKeyAFJJBALHKHFMJT-UHFFFAOYSA-N
MW399.58 g/mol
LogP5.79
Rot. Bonds8

About ethane;4-ethyl-3-[2-(2-methoxy-4-propanoylphenyl)ethyl]benzamide

ethane;4-ethyl-3-[2-(2-methoxy-4-propanoylphenyl)ethyl]benzamide (PubChem CID 143067899) has the molecular formula C25H37NO3 and a molecular weight of 399.58 g/mol. Its IUPAC name is ethane;4-ethyl-3-[2-(2-methoxy-4-propanoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Nameethane;4-ethyl-3-[2-(2-methoxy-4-propanoylphenyl)ethyl]benzamide
PubChem CID143067899
Molecular FormulaC25H37NO3
Molecular Weight399.58 g/mol
Exact Mass399.28
IUPAC Nameethane;4-ethyl-3-[2-(2-methoxy-4-propanoylphenyl)ethyl]benzamide
SMILESCC.CC.CCC(=O)c1ccc(CCc2cc(C(N)=O)ccc2CC)c(OC)c1
InChIInChI=1S/C21H25NO3.2C2H6/c1-4-14-6-11-18(21(22)24)12-16(14)9-7-15-8-10-17(19(23)5-2)13-20(15)25-3;2*1-2/h6,8,10-13H,4-5,7,9H2,1-3H3,(H2,22,24);2*1-2H3
InChIKeyAFJJBALHKHFMJT-UHFFFAOYSA-N
XLogP5.79
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.58
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromoethyl)-3-methoxybenzamide
CID 123699479
1-(3-methoxy-4-methylphenyl)propan-1-one
CID 71349712
1-(4-ethoxy-3-ethylphenyl)propan-1-one
CID 82054209
3-ethylbenzamide;4-ethyl-3-methoxybenzamide;prop-1-ene
CID 143067890
4-hydroxy-3-methoxybenzamide;nonane
CID 174831625
3-methoxy-4-(2-oxobutoxy)benzamide
CID 62039571
1-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-one
CID 91657177
2-bromo-1-[4-(hydroxymethyl)-3-methoxyphenyl]ethanone
CID 87613881
3-amino-4-ethylbenzamide
CID 19977641
4-butoxy-3-methoxybenzamide
CID 47102628
1-(3,4-dimethoxyphenyl)-3-[4-(hydroxymethyl)-3-methoxyphenyl]propane-1,3-dione
CID 70880614
4-methoxy-3-pentoxybenzamide
CID 82041442

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-3-[2-(2-methoxy-4-propanoylphenyl)ethyl]benzamide?
The IUPAC name of ethane;4-ethyl-3-[2-(2-methoxy-4-propanoylphenyl)ethyl]benzamide (CID 143067899) is ethane;4-ethyl-3-[2-(2-methoxy-4-propanoylphenyl)ethyl]benzamide.
What is the SMILES notation for ethane;4-ethyl-3-[2-(2-methoxy-4-propanoylphenyl)ethyl]benzamide?
The canonical SMILES for ethane;4-ethyl-3-[2-(2-methoxy-4-propanoylphenyl)ethyl]benzamide is CC.CC.CCC(=O)c1ccc(CCc2cc(C(N)=O)ccc2CC)c(OC)c1.
What is the InChIKey of ethane;4-ethyl-3-[2-(2-methoxy-4-propanoylphenyl)ethyl]benzamide?
The InChIKey is AFJJBALHKHFMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3.2C2H6/c1-4-14-6-11-18(21(22)24)12-16(14)9-7-15-8-10-17(19(23)5-2)13-20(15)25-3;2*1-2/h6,8,10-13H,4-5,7,9H2,1-3H3,(H2,22,24);2*1-2H3.
What are the key properties of ethane;4-ethyl-3-[2-(2-methoxy-4-propanoylphenyl)ethyl]benzamide?
ethane;4-ethyl-3-[2-(2-methoxy-4-propanoylphenyl)ethyl]benzamide has a molecular weight of 399.58 g/mol, XLogP of 5.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-3-[2-(2-methoxy-4-propanoylphenyl)ethyl]benzamide is sourced from PubChem (CID 143067899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).