N-(3,5-dimethoxyphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide

C21H27NO5 — CID 9096664

IUPACN-(3,5-dimethoxyphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2cc(OC)cc(OC)c2)ccc1OCC(C)C
InChIInChI=1S/C21H27NO5/c1-6-26-20-9-15(7-8-19(20)27-13-14(2)3)21(23)22-16-10-17(24-4)12-18(11-16)25-5/h7-12,14H,6,13H2,1-5H3,(H,22,23)
InChIKeyJVHNDQNNVZKUAO-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.39
Rot. Bonds9

About N-(3,5-dimethoxyphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide

N-(3,5-dimethoxyphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide (PubChem CID 9096664) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
PubChem CID9096664
Molecular FormulaC21H27NO5
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC NameN-(3,5-dimethoxyphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2cc(OC)cc(OC)c2)ccc1OCC(C)C
InChIInChI=1S/C21H27NO5/c1-6-26-20-9-15(7-8-19(20)27-13-14(2)3)21(23)22-16-10-17(24-4)12-18(11-16)25-5/h7-12,14H,6,13H2,1-5H3,(H,22,23)
InChIKeyJVHNDQNNVZKUAO-UHFFFAOYSA-N
XLogP4.39
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 2549012
N-[4-(difluoromethoxy)phenyl]-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 8502589
N-(3-acetylphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 9095687
N-(3,5-dimethoxyphenyl)-3,4,5-triethoxybenzamide
CID 2182234
4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide
CID 27228846
3-ethoxy-N-(2-fluorophenyl)-4-(2-methylpropoxy)benzamide
CID 9413695
4-ethoxy-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26698623
N-[4-(diethylcarbamoyl)phenyl]-3-methoxy-4-(2-methylpropoxy)benzamide
CID 34317168
3-cyano-N-(3-methoxyphenyl)-4-(2-methylpropoxy)benzamide;dichloromethane
CID 69438481
3-ethoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-(2-methylpropoxy)benzamide
CID 9145525
3-ethoxy-4-(2-methylpropoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 8747644
N-(3,5-dimethoxyphenyl)-3-methoxy-4-methylbenzamide
CID 16619720

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide (CID 9096664) is N-(3,5-dimethoxyphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide is CCOc1cc(C(=O)Nc2cc(OC)cc(OC)c2)ccc1OCC(C)C.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide?
The InChIKey is JVHNDQNNVZKUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO5/c1-6-26-20-9-15(7-8-19(20)27-13-14(2)3)21(23)22-16-10-17(24-4)12-18(11-16)25-5/h7-12,14H,6,13H2,1-5H3,(H,22,23).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide?
N-(3,5-dimethoxyphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide has a molecular weight of 373.45 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 9096664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).