N-(2-hydroxy-2,3-dimethylpentyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide

C19H31NO3 — CID 111486022

IUPACN-(2-hydroxy-2,3-dimethylpentyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide
SMILESCCC(C)C(C)(O)CNC(=O)C(C)(C)Cc1ccccc1OC
InChIInChI=1S/C19H31NO3/c1-7-14(2)19(5,22)13-20-17(21)18(3,4)12-15-10-8-9-11-16(15)23-6/h8-11,14,22H,7,12-13H2,1-6H3,(H,20,21)
InChIKeyCVNVTBVEIQYIKQ-UHFFFAOYSA-N
MW321.46 g/mol
LogP3.18
Rot. Bonds8

About N-(2-hydroxy-2,3-dimethylpentyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide

N-(2-hydroxy-2,3-dimethylpentyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide (PubChem CID 111486022) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylpentyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylpentyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide
PubChem CID111486022
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC NameN-(2-hydroxy-2,3-dimethylpentyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide
SMILESCCC(C)C(C)(O)CNC(=O)C(C)(C)Cc1ccccc1OC
InChIInChI=1S/C19H31NO3/c1-7-14(2)19(5,22)13-20-17(21)18(3,4)12-15-10-8-9-11-16(15)23-6/h8-11,14,22H,7,12-13H2,1-6H3,(H,20,21)
InChIKeyCVNVTBVEIQYIKQ-UHFFFAOYSA-N
XLogP3.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2,3-dimethylpentyl)-2-(2-methoxyphenyl)acetamide
CID 111446516
N-(2-ethyl-2-hydroxybutyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide
CID 111485941
1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 111120840
N-[2-(ethylamino)ethyl]-3-(2-methoxyphenyl)-2,2-dimethylpropanamide
CID 119506968
(E)-2-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]hex-4-enoic acid
CID 120693983
1-(2-ethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111120487
2-ethoxy-N-(2-hydroxy-2,3-dimethylpentyl)benzamide
CID 111446636
1-[[2-(difluoromethoxy)phenyl]methylamino]-2,3-dimethylpentan-2-ol
CID 111118941
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111120865
N-ethyl-3-(2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 62724934
ethyl 2-hydroxy-4-(2-methoxyphenyl)-2,3-dimethylbutanoate
CID 79308120
2-hydroxy-N-[(2-methoxyphenyl)methyl]-2-methyl-3-phenylbutanamide
CID 122144681

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide (CID 111486022) is N-(2-hydroxy-2,3-dimethylpentyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylpentyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylpentyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide is CCC(C)C(C)(O)CNC(=O)C(C)(C)Cc1ccccc1OC.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylpentyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide?
The InChIKey is CVNVTBVEIQYIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-7-14(2)19(5,22)13-20-17(21)18(3,4)12-15-10-8-9-11-16(15)23-6/h8-11,14,22H,7,12-13H2,1-6H3,(H,20,21).
What are the key properties of N-(2-hydroxy-2,3-dimethylpentyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide?
N-(2-hydroxy-2,3-dimethylpentyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide has a molecular weight of 321.46 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylpentyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 111486022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).