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

C17H28N2O2 — CID 63063229

IUPACN,N-dimethyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butanamide
SMILESCC(C)CNCc1ccc(OCCCC(=O)N(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-14(2)12-18-13-15-7-9-16(10-8-15)21-11-5-6-17(20)19(3)4/h7-10,14,18H,5-6,11-13H2,1-4H3
InChIKeyPRDAYQJMTWIHNY-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.68
Rot. Bonds9

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

N,N-dimethyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butanamide (PubChem CID 63063229) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butanamide
PubChem CID63063229
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN,N-dimethyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butanamide
SMILESCC(C)CNCc1ccc(OCCCC(=O)N(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-14(2)12-18-13-15-7-9-16(10-8-15)21-11-5-6-17(20)19(3)4/h7-10,14,18H,5-6,11-13H2,1-4H3
InChIKeyPRDAYQJMTWIHNY-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,N-dimethyl-3-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide
CID 60926493
N,N-dimethyl-4-[2-[(2-methylpropylamino)methyl]phenoxy]butanamide
CID 63057663
2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 28610770
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342
2-methyl-N-[(4-octoxyphenyl)methyl]propan-1-amine
CID 60657431
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291298
2-methyl-N-[[4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine
CID 64552907
N-[[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 62446407
2-methyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol
CID 79360041
N,N-dimethyl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 54935244
2-[4-[(2-methylpropylamino)methyl]phenoxy]-N-propan-2-ylacetamide
CID 63062886
N-[[4-(2-ethylsulfanylethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 113473373

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butanamide?
The IUPAC name of N,N-dimethyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butanamide (CID 63063229) is N,N-dimethyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butanamide.
What is the SMILES notation for N,N-dimethyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butanamide?
The canonical SMILES for N,N-dimethyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butanamide is CC(C)CNCc1ccc(OCCCC(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butanamide?
The InChIKey is PRDAYQJMTWIHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-14(2)12-18-13-15-7-9-16(10-8-15)21-11-5-6-17(20)19(3)4/h7-10,14,18H,5-6,11-13H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butanamide?
N,N-dimethyl-4-[4-[(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-[4-[(2-methylpropylamino)methyl]phenoxy]butanamide is sourced from PubChem (CID 63063229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).