N-(2-ethyl-2-hydroxybutyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide

C18H29NO3 — CID 111485941

IUPACN-(2-ethyl-2-hydroxybutyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide
SMILESCCC(O)(CC)CNC(=O)C(C)(C)Cc1ccccc1OC
InChIInChI=1S/C18H29NO3/c1-6-18(21,7-2)13-19-16(20)17(3,4)12-14-10-8-9-11-15(14)22-5/h8-11,21H,6-7,12-13H2,1-5H3,(H,19,20)
InChIKeyULQWHGHFHBNMDP-UHFFFAOYSA-N
MW307.43 g/mol
LogP2.93
Rot. Bonds8

About N-(2-ethyl-2-hydroxybutyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide

N-(2-ethyl-2-hydroxybutyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide (PubChem CID 111485941) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide
PubChem CID111485941
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide
SMILESCCC(O)(CC)CNC(=O)C(C)(C)Cc1ccccc1OC
InChIInChI=1S/C18H29NO3/c1-6-18(21,7-2)13-19-16(20)17(3,4)12-14-10-8-9-11-15(14)22-5/h8-11,21H,6-7,12-13H2,1-5H3,(H,19,20)
InChIKeyULQWHGHFHBNMDP-UHFFFAOYSA-N
XLogP2.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2,3-dimethylpentyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide
CID 111486022
N-[2-(ethylamino)ethyl]-3-(2-methoxyphenyl)-2,2-dimethylpropanamide
CID 119506968
3-(2-methoxyphenyl)-2,2-dimethyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119557189
N-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 15179102
N-(2-amino-2-methylpropyl)-2-(2-methoxyphenyl)acetamide
CID 81482461
2-(ethylamino)-3-(2-methoxyphenyl)-2-methylpropan-1-ol
CID 61056299
2-[2-fluoro-4-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]phenyl]acetic acid
CID 122109874
(E)-2-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]hex-4-enoic acid
CID 120693983
ethyl 4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanoate
CID 65237014
N-ethyl-3-(2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 62724934
N-[(2-methoxyphenyl)methyl]-2-methyl-2-(methylamino)propanamide
CID 62834293
N-(2-hydroxy-2,3-dimethylpentyl)-2-(2-methoxyphenyl)acetamide
CID 111446516

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide (CID 111485941) is N-(2-ethyl-2-hydroxybutyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide is CCC(O)(CC)CNC(=O)C(C)(C)Cc1ccccc1OC.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide?
The InChIKey is ULQWHGHFHBNMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-6-18(21,7-2)13-19-16(20)17(3,4)12-14-10-8-9-11-15(14)22-5/h8-11,21H,6-7,12-13H2,1-5H3,(H,19,20).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide?
N-(2-ethyl-2-hydroxybutyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide has a molecular weight of 307.43 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 111485941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).