N,N-dimethyl-4-[2-[(2-methylpropylamino)methyl]phenoxy]butanamide

C17H28N2O2 — CID 63057663

IUPACN,N-dimethyl-4-[2-[(2-methylpropylamino)methyl]phenoxy]butanamide
SMILESCC(C)CNCc1ccccc1OCCCC(=O)N(C)C
InChIInChI=1S/C17H28N2O2/c1-14(2)12-18-13-15-8-5-6-9-16(15)21-11-7-10-17(20)19(3)4/h5-6,8-9,14,18H,7,10-13H2,1-4H3
InChIKeyPGDYCAKFLPPPJK-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.68
Rot. Bonds9

About N,N-dimethyl-4-[2-[(2-methylpropylamino)methyl]phenoxy]butanamide

N,N-dimethyl-4-[2-[(2-methylpropylamino)methyl]phenoxy]butanamide (PubChem CID 63057663) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-[(2-methylpropylamino)methyl]phenoxy]butanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-[(2-methylpropylamino)methyl]phenoxy]butanamide
PubChem CID63057663
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN,N-dimethyl-4-[2-[(2-methylpropylamino)methyl]phenoxy]butanamide
SMILESCC(C)CNCc1ccccc1OCCCC(=O)N(C)C
InChIInChI=1S/C17H28N2O2/c1-14(2)12-18-13-15-8-5-6-9-16(15)21-11-7-10-17(20)19(3)4/h5-6,8-9,14,18H,7,10-13H2,1-4H3
InChIKeyPGDYCAKFLPPPJK-UHFFFAOYSA-N
XLogP2.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 61222098
N,N-dimethyl-3-[2-(methylaminomethyl)phenoxy]propanamide
CID 54879203
N,N-dimethyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butanamide
CID 63063229
2-[2-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 63062212
N-[[2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 103409052
2-methyl-N-[[2-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 62418298
5-[2-[(2-methylpropylamino)methyl]phenoxy]pentanenitrile
CID 63057328
2-methyl-N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine
CID 63063942
N-[[2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 65369676
N,N-dimethyl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide
CID 54935293
N,N-dimethyl-4-naphthalen-1-yloxybutanamide
CID 60769263
3-[2-(ethylaminomethyl)phenoxy]propanamide
CID 43277204

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-[(2-methylpropylamino)methyl]phenoxy]butanamide?
The IUPAC name of N,N-dimethyl-4-[2-[(2-methylpropylamino)methyl]phenoxy]butanamide (CID 63057663) is N,N-dimethyl-4-[2-[(2-methylpropylamino)methyl]phenoxy]butanamide.
What is the SMILES notation for N,N-dimethyl-4-[2-[(2-methylpropylamino)methyl]phenoxy]butanamide?
The canonical SMILES for N,N-dimethyl-4-[2-[(2-methylpropylamino)methyl]phenoxy]butanamide is CC(C)CNCc1ccccc1OCCCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-4-[2-[(2-methylpropylamino)methyl]phenoxy]butanamide?
The InChIKey is PGDYCAKFLPPPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-14(2)12-18-13-15-8-5-6-9-16(15)21-11-7-10-17(20)19(3)4/h5-6,8-9,14,18H,7,10-13H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[2-[(2-methylpropylamino)methyl]phenoxy]butanamide?
N,N-dimethyl-4-[2-[(2-methylpropylamino)methyl]phenoxy]butanamide has a molecular weight of 292.42 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-[(2-methylpropylamino)methyl]phenoxy]butanamide is sourced from PubChem (CID 63057663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).