N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide

C16H26N2O2 — CID 87006868

IUPACN-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1ccc(OCCN(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-13(2)5-10-16(19)17-14-6-8-15(9-7-14)20-12-11-18(3)4/h6-9,13H,5,10-12H2,1-4H3,(H,17,19)
InChIKeyIASFKUJAXZEOIR-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.00
Rot. Bonds8

About N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide

N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide (PubChem CID 87006868) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide
PubChem CID87006868
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1ccc(OCCN(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-13(2)5-10-16(19)17-14-6-8-15(9-7-14)20-12-11-18(3)4/h6-9,13H,5,10-12H2,1-4H3,(H,17,19)
InChIKeyIASFKUJAXZEOIR-UHFFFAOYSA-N
XLogP3.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 54862434
4-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]butanamide
CID 54862447
1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentan-1-one
CID 138635015
3-(cyclopropylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 60928327
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methyl-3-(methylamino)propanamide
CID 79196203
(2R)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylbutanamide
CID 79013043
(2S)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide;dihydrochloride
CID 119844261
2-methoxyethyl 4-[4-(3-methylbutoxy)anilino]-4-oxobutanoate
CID 17339142
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111536806
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide
CID 133167161
methyl 3-[4-(3-methylbutoxy)anilino]-3-oxopropanoate
CID 28638022
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methylphenoxy)propanamide
CID 87006843

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide?
The IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide (CID 87006868) is N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide?
The canonical SMILES for N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide is CC(C)CCC(=O)Nc1ccc(OCCN(C)C)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide?
The InChIKey is IASFKUJAXZEOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13(2)5-10-16(19)17-14-6-8-15(9-7-14)20-12-11-18(3)4/h6-9,13H,5,10-12H2,1-4H3,(H,17,19).
What are the key properties of N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide?
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide has a molecular weight of 278.40 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide is sourced from PubChem (CID 87006868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).