N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide

C18H30N2O3 — CID 133167161

IUPACN-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide
SMILESCOC(C)(CC(C)C)C(=O)Nc1ccc(OCCN(C)C)cc1
InChIInChI=1S/C18H30N2O3/c1-14(2)13-18(3,22-6)17(21)19-15-7-9-16(10-8-15)23-12-11-20(4)5/h7-10,14H,11-13H2,1-6H3,(H,19,21)
InChIKeyZBOIYEIJHXGVPV-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.02
Rot. Bonds9

About N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide

N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide (PubChem CID 133167161) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide
PubChem CID133167161
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide
SMILESCOC(C)(CC(C)C)C(=O)Nc1ccc(OCCN(C)C)cc1
InChIInChI=1S/C18H30N2O3/c1-14(2)13-18(3,22-6)17(21)19-15-7-9-16(10-8-15)23-12-11-20(4)5/h7-10,14H,11-13H2,1-6H3,(H,19,21)
InChIKeyZBOIYEIJHXGVPV-UHFFFAOYSA-N
XLogP3.02
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(diethylamino)ethoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide
CID 133194288
(2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2,4-dimethylpentanamide
CID 100695331
2-methoxy-2,4-dimethyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide
CID 133245908
N-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide
CID 133245923
2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2,4-dimethylpentanamide
CID 133246574
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methyl-2-propoxypentanamide
CID 133247067
(2S)-2-ethoxy-2,4-dimethyl-N-(4-propoxyphenyl)pentanamide
CID 100722896
(2S)-2-methoxy-2,4-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 100695248
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide
CID 87006868
(2S)-2-methoxy-2,4-dimethyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide
CID 100695273
(2S)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide;dihydrochloride
CID 119844261
2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methylpentanamide
CID 60928090

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide?
The IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide (CID 133167161) is N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide?
The canonical SMILES for N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide is COC(C)(CC(C)C)C(=O)Nc1ccc(OCCN(C)C)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide?
The InChIKey is ZBOIYEIJHXGVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-14(2)13-18(3,22-6)17(21)19-15-7-9-16(10-8-15)23-12-11-20(4)5/h7-10,14H,11-13H2,1-6H3,(H,19,21).
What are the key properties of N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide?
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide has a molecular weight of 322.45 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide is sourced from PubChem (CID 133167161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).