N-(2-hydroxyethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide

C16H25NO2 — CID 54993744

IUPACN-(2-hydroxyethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CCO)C(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C16H25NO2/c1-5-15(6-2)17(9-10-18)16(19)14-8-7-12(3)13(4)11-14/h7-8,11,15,18H,5-6,9-10H2,1-4H3
InChIKeyYIYSCCSUNKAYRJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.93
Rot. Bonds6

About N-(2-hydroxyethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide

N-(2-hydroxyethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide (PubChem CID 54993744) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide
PubChem CID54993744
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(2-hydroxyethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CCO)C(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C16H25NO2/c1-5-15(6-2)17(9-10-18)16(19)14-8-7-12(3)13(4)11-14/h7-8,11,15,18H,5-6,9-10H2,1-4H3
InChIKeyYIYSCCSUNKAYRJ-UHFFFAOYSA-N
XLogP2.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide
CID 55241197
3,4-dihydroxy-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide
CID 107728479
3-amino-4-fluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide
CID 54995378
5-fluoro-N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylbenzamide
CID 63049149
N-(2-hydroxyethyl)-4-(methylamino)-N-pentan-3-ylbenzamide
CID 62175742
4-(bromomethyl)-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide
CID 102851517
N-(2-bromoethyl)-3-fluoro-4-methyl-N-pentan-3-ylbenzamide
CID 80670865
4-fluoro-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylbenzamide
CID 63213062
3-hydroxy-N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylbenzamide
CID 43573118
2-[butan-2-yl-(3,4-dimethylbenzoyl)amino]acetic acid
CID 60829898
N-(2-hydroxyethyl)-N-pentan-3-yl-3-propoxybenzamide
CID 62920536
N-(2-aminoethyl)-3,4-dimethyl-N-propan-2-ylbenzamide
CID 28707889

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide?
The IUPAC name of N-(2-hydroxyethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide (CID 54993744) is N-(2-hydroxyethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide?
The canonical SMILES for N-(2-hydroxyethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide is CCC(CC)N(CCO)C(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-(2-hydroxyethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide?
The InChIKey is YIYSCCSUNKAYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-15(6-2)17(9-10-18)16(19)14-8-7-12(3)13(4)11-14/h7-8,11,15,18H,5-6,9-10H2,1-4H3.
What are the key properties of N-(2-hydroxyethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide?
N-(2-hydroxyethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide has a molecular weight of 263.38 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide is sourced from PubChem (CID 54993744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).