N-(3-hydroxybutyl)-2-methyl-2-[4-(2-methylpropoxy)phenyl]propanamide

C18H29NO3 — CID 111433792

IUPACN-(3-hydroxybutyl)-2-methyl-2-[4-(2-methylpropoxy)phenyl]propanamide
SMILESCC(C)COc1ccc(C(C)(C)C(=O)NCCC(C)O)cc1
InChIInChI=1S/C18H29NO3/c1-13(2)12-22-16-8-6-15(7-9-16)18(4,5)17(21)19-11-10-14(3)20/h6-9,13-14,20H,10-12H2,1-5H3,(H,19,21)
InChIKeySMJIGLKUWZKVCR-UHFFFAOYSA-N
MW307.43 g/mol
LogP2.89
Rot. Bonds8

About N-(3-hydroxybutyl)-2-methyl-2-[4-(2-methylpropoxy)phenyl]propanamide

N-(3-hydroxybutyl)-2-methyl-2-[4-(2-methylpropoxy)phenyl]propanamide (PubChem CID 111433792) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-2-methyl-2-[4-(2-methylpropoxy)phenyl]propanamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-2-methyl-2-[4-(2-methylpropoxy)phenyl]propanamide
PubChem CID111433792
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC NameN-(3-hydroxybutyl)-2-methyl-2-[4-(2-methylpropoxy)phenyl]propanamide
SMILESCC(C)COc1ccc(C(C)(C)C(=O)NCCC(C)O)cc1
InChIInChI=1S/C18H29NO3/c1-13(2)12-22-16-8-6-15(7-9-16)18(4,5)17(21)19-11-10-14(3)20/h6-9,13-14,20H,10-12H2,1-5H3,(H,19,21)
InChIKeySMJIGLKUWZKVCR-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminophenyl)-N-(3-hydroxybutyl)-2-methylpropanamide
CID 80556154
2-methyl-2-[4-(2-methylpropoxy)phenyl]-N-pyrrolidin-3-ylpropanamide
CID 119451190
4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4930158
N-(3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide
CID 64913130
2-methyl-2-[4-(2-methylpropoxy)phenyl]-N-piperidin-3-ylpropanamide
CID 119426016
N-(3-aminobutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 119496509
4-(2-methylpropoxy)-N-[3-[[4-(2-methylpropoxy)benzoyl]amino]propyl]benzamide
CID 4938333
2-methyl-N-(2-methylpiperidin-4-yl)-2-[4-(2-methylpropoxy)phenyl]propanamide
CID 120602159
N-(2-acetamidoethyl)-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110437825
4-(2-methylpropoxy)-N-[8-[[4-(2-methylpropoxy)benzoyl]amino]octyl]benzamide
CID 17233376
2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol
CID 95445371
4-(2-methylpropoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4937273

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-2-methyl-2-[4-(2-methylpropoxy)phenyl]propanamide?
The IUPAC name of N-(3-hydroxybutyl)-2-methyl-2-[4-(2-methylpropoxy)phenyl]propanamide (CID 111433792) is N-(3-hydroxybutyl)-2-methyl-2-[4-(2-methylpropoxy)phenyl]propanamide.
What is the SMILES notation for N-(3-hydroxybutyl)-2-methyl-2-[4-(2-methylpropoxy)phenyl]propanamide?
The canonical SMILES for N-(3-hydroxybutyl)-2-methyl-2-[4-(2-methylpropoxy)phenyl]propanamide is CC(C)COc1ccc(C(C)(C)C(=O)NCCC(C)O)cc1.
What is the InChIKey of N-(3-hydroxybutyl)-2-methyl-2-[4-(2-methylpropoxy)phenyl]propanamide?
The InChIKey is SMJIGLKUWZKVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-13(2)12-22-16-8-6-15(7-9-16)18(4,5)17(21)19-11-10-14(3)20/h6-9,13-14,20H,10-12H2,1-5H3,(H,19,21).
What are the key properties of N-(3-hydroxybutyl)-2-methyl-2-[4-(2-methylpropoxy)phenyl]propanamide?
N-(3-hydroxybutyl)-2-methyl-2-[4-(2-methylpropoxy)phenyl]propanamide has a molecular weight of 307.43 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-2-methyl-2-[4-(2-methylpropoxy)phenyl]propanamide is sourced from PubChem (CID 111433792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).