N-(3-hydroxybutyl)-N-methyl-3-(3-methylphenoxy)propanamide

C15H23NO3 — CID 115691597

IUPACN-(3-hydroxybutyl)-N-methyl-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)N(C)CCC(C)O)c1
InChIInChI=1S/C15H23NO3/c1-12-5-4-6-14(11-12)19-10-8-15(18)16(3)9-7-13(2)17/h4-6,11,13,17H,7-10H2,1-3H3
InChIKeyZEKPHDPLVBXTKM-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.99
Rot. Bonds7

About N-(3-hydroxybutyl)-N-methyl-3-(3-methylphenoxy)propanamide

N-(3-hydroxybutyl)-N-methyl-3-(3-methylphenoxy)propanamide (PubChem CID 115691597) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N-methyl-3-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N-methyl-3-(3-methylphenoxy)propanamide
PubChem CID115691597
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(3-hydroxybutyl)-N-methyl-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)N(C)CCC(C)O)c1
InChIInChI=1S/C15H23NO3/c1-12-5-4-6-14(11-12)19-10-8-15(18)16(3)9-7-13(2)17/h4-6,11,13,17H,7-10H2,1-3H3
InChIKeyZEKPHDPLVBXTKM-UHFFFAOYSA-N
XLogP1.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 55149658
5-amino-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide
CID 82011195
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
N,N-dimethyl-3-(3-methylphenoxy)propanamide
CID 60637097
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119274543
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 54875471
N-(2-hydroxyethyl)-3-(3-methylphenoxy)-N-propan-2-ylpropanamide
CID 43573145
N-(2-bromoethyl)-3-(3-methylphenoxy)-N-propan-2-ylpropanamide
CID 80666425
N-methyl-5-(3-methylphenoxy)-N-(3,3,3-trifluoropropyl)pentanamide
CID 86841292
2,2-dimethyl-4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
CID 65302126
2-(3-bromophenoxy)-N-(3-hydroxybutyl)-N-methylacetamide
CID 115691544
2-(4-bromophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 55431376

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-N-methyl-3-(3-methylphenoxy)propanamide?
The IUPAC name of N-(3-hydroxybutyl)-N-methyl-3-(3-methylphenoxy)propanamide (CID 115691597) is N-(3-hydroxybutyl)-N-methyl-3-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N-methyl-3-(3-methylphenoxy)propanamide?
The canonical SMILES for N-(3-hydroxybutyl)-N-methyl-3-(3-methylphenoxy)propanamide is Cc1cccc(OCCC(=O)N(C)CCC(C)O)c1.
What is the InChIKey of N-(3-hydroxybutyl)-N-methyl-3-(3-methylphenoxy)propanamide?
The InChIKey is ZEKPHDPLVBXTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12-5-4-6-14(11-12)19-10-8-15(18)16(3)9-7-13(2)17/h4-6,11,13,17H,7-10H2,1-3H3.
What are the key properties of N-(3-hydroxybutyl)-N-methyl-3-(3-methylphenoxy)propanamide?
N-(3-hydroxybutyl)-N-methyl-3-(3-methylphenoxy)propanamide has a molecular weight of 265.35 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N-methyl-3-(3-methylphenoxy)propanamide is sourced from PubChem (CID 115691597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).