N-(2-methoxyethyl)-4-(3-methylpentan-3-yl)benzamide

C16H25NO2 — CID 70934716

IUPACN-(2-methoxyethyl)-4-(3-methylpentan-3-yl)benzamide
SMILESCCC(C)(CC)c1ccc(C(=O)NCCOC)cc1
InChIInChI=1S/C16H25NO2/c1-5-16(3,6-2)14-9-7-13(8-10-14)15(18)17-11-12-19-4/h7-10H,5-6,11-12H2,1-4H3,(H,17,18)
InChIKeyFLLOBONFBWUBSY-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.14
Rot. Bonds7

About N-(2-methoxyethyl)-4-(3-methylpentan-3-yl)benzamide

N-(2-methoxyethyl)-4-(3-methylpentan-3-yl)benzamide (PubChem CID 70934716) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(3-methylpentan-3-yl)benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(3-methylpentan-3-yl)benzamide
PubChem CID70934716
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(2-methoxyethyl)-4-(3-methylpentan-3-yl)benzamide
SMILESCCC(C)(CC)c1ccc(C(=O)NCCOC)cc1
InChIInChI=1S/C16H25NO2/c1-5-16(3,6-2)14-9-7-13(8-10-14)15(18)17-11-12-19-4/h7-10H,5-6,11-12H2,1-4H3,(H,17,18)
InChIKeyFLLOBONFBWUBSY-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-tert-butyl-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 47437380
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
4-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)benzamide
CID 17218245
4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134028875
4-(4-aminophenyl)-N-(2-methoxyethyl)benzamide
CID 91665664
4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54835797
4-(butanoylamino)-N-(2-methoxyethyl)benzamide
CID 4265355
4-N-(2,6-diethylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045164
4-(4-tert-butylphenyl)-N-(2-methoxyethyl)-4-oxobutanamide
CID 110297948
4-(2,5-dimethylpyrrol-1-yl)-N-(2-methoxyethyl)benzamide
CID 30281157
4-(ethylamino)-N-(3-methoxypropyl)benzamide
CID 62167523
3-[4-(2-methoxyethylcarbamoyl)phenyl]propanoic acid
CID 28760119

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(3-methylpentan-3-yl)benzamide?
The IUPAC name of N-(2-methoxyethyl)-4-(3-methylpentan-3-yl)benzamide (CID 70934716) is N-(2-methoxyethyl)-4-(3-methylpentan-3-yl)benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-(3-methylpentan-3-yl)benzamide?
The canonical SMILES for N-(2-methoxyethyl)-4-(3-methylpentan-3-yl)benzamide is CCC(C)(CC)c1ccc(C(=O)NCCOC)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-(3-methylpentan-3-yl)benzamide?
The InChIKey is FLLOBONFBWUBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-16(3,6-2)14-9-7-13(8-10-14)15(18)17-11-12-19-4/h7-10H,5-6,11-12H2,1-4H3,(H,17,18).
What are the key properties of N-(2-methoxyethyl)-4-(3-methylpentan-3-yl)benzamide?
N-(2-methoxyethyl)-4-(3-methylpentan-3-yl)benzamide has a molecular weight of 263.38 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(3-methylpentan-3-yl)benzamide is sourced from PubChem (CID 70934716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).