N-[3-ethyl-4-(2-methylpropanoyl)phenyl]-3-(2-methoxyethoxy)benzamide

C22H27NO4 — CID 170731884

IUPACN-[3-ethyl-4-(2-methylpropanoyl)phenyl]-3-(2-methoxyethoxy)benzamide
SMILESCCc1cc(NC(=O)c2cccc(OCCOC)c2)ccc1C(=O)C(C)C
InChIInChI=1S/C22H27NO4/c1-5-16-13-18(9-10-20(16)21(24)15(2)3)23-22(25)17-7-6-8-19(14-17)27-12-11-26-4/h6-10,13-15H,5,11-12H2,1-4H3,(H,23,25)
InChIKeyXJFKUAZQOSEOPK-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.37
Rot. Bonds9

About N-[3-ethyl-4-(2-methylpropanoyl)phenyl]-3-(2-methoxyethoxy)benzamide

N-[3-ethyl-4-(2-methylpropanoyl)phenyl]-3-(2-methoxyethoxy)benzamide (PubChem CID 170731884) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is N-[3-ethyl-4-(2-methylpropanoyl)phenyl]-3-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[3-ethyl-4-(2-methylpropanoyl)phenyl]-3-(2-methoxyethoxy)benzamide
PubChem CID170731884
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC NameN-[3-ethyl-4-(2-methylpropanoyl)phenyl]-3-(2-methoxyethoxy)benzamide
SMILESCCc1cc(NC(=O)c2cccc(OCCOC)c2)ccc1C(=O)C(C)C
InChIInChI=1S/C22H27NO4/c1-5-16-13-18(9-10-20(16)21(24)15(2)3)23-22(25)17-7-6-8-19(14-17)27-12-11-26-4/h6-10,13-15H,5,11-12H2,1-4H3,(H,23,25)
InChIKeyXJFKUAZQOSEOPK-UHFFFAOYSA-N
XLogP4.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-phenoxyethoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142503
3-(3-methylbutoxy)-N-(3-propoxyphenyl)benzamide
CID 17096779
3-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17140377
3-(2-ethoxyethoxy)-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17139676
N,N-diethyl-3-[[3-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 55996557
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
N-propan-2-yl-3-[(3-propoxybenzoyl)amino]benzamide
CID 17197490
3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
CID 17197543
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
3-butoxy-N-(3-ethoxyphenyl)benzamide
CID 17098184
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059

Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-4-(2-methylpropanoyl)phenyl]-3-(2-methoxyethoxy)benzamide?
The IUPAC name of N-[3-ethyl-4-(2-methylpropanoyl)phenyl]-3-(2-methoxyethoxy)benzamide (CID 170731884) is N-[3-ethyl-4-(2-methylpropanoyl)phenyl]-3-(2-methoxyethoxy)benzamide.
What is the SMILES notation for N-[3-ethyl-4-(2-methylpropanoyl)phenyl]-3-(2-methoxyethoxy)benzamide?
The canonical SMILES for N-[3-ethyl-4-(2-methylpropanoyl)phenyl]-3-(2-methoxyethoxy)benzamide is CCc1cc(NC(=O)c2cccc(OCCOC)c2)ccc1C(=O)C(C)C.
What is the InChIKey of N-[3-ethyl-4-(2-methylpropanoyl)phenyl]-3-(2-methoxyethoxy)benzamide?
The InChIKey is XJFKUAZQOSEOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-5-16-13-18(9-10-20(16)21(24)15(2)3)23-22(25)17-7-6-8-19(14-17)27-12-11-26-4/h6-10,13-15H,5,11-12H2,1-4H3,(H,23,25).
What are the key properties of N-[3-ethyl-4-(2-methylpropanoyl)phenyl]-3-(2-methoxyethoxy)benzamide?
N-[3-ethyl-4-(2-methylpropanoyl)phenyl]-3-(2-methoxyethoxy)benzamide has a molecular weight of 369.46 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-4-(2-methylpropanoyl)phenyl]-3-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 170731884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).