N-[2-(diethylamino)ethyl]-4-(3-methylphenoxy)butanamide

C17H28N2O2 — CID 78782902

IUPACN-[2-(diethylamino)ethyl]-4-(3-methylphenoxy)butanamide
SMILESCCN(CC)CCNC(=O)CCCOc1cccc(C)c1
InChIInChI=1S/C17H28N2O2/c1-4-19(5-2)12-11-18-17(20)10-7-13-21-16-9-6-8-15(3)14-16/h6,8-9,14H,4-5,7,10-13H2,1-3H3,(H,18,20)
InChIKeyMKMSHZFHRQHDOQ-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.61
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-4-(3-methylphenoxy)butanamide

N-[2-(diethylamino)ethyl]-4-(3-methylphenoxy)butanamide (PubChem CID 78782902) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-(3-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-(3-methylphenoxy)butanamide
PubChem CID78782902
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[2-(diethylamino)ethyl]-4-(3-methylphenoxy)butanamide
SMILESCCN(CC)CCNC(=O)CCCOc1cccc(C)c1
InChIInChI=1S/C17H28N2O2/c1-4-19(5-2)12-11-18-17(20)10-7-13-21-16-9-6-8-15(3)14-16/h6,8-9,14H,4-5,7,10-13H2,1-3H3,(H,18,20)
InChIKeyMKMSHZFHRQHDOQ-UHFFFAOYSA-N
XLogP2.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.61
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-(6-hydroxyhexyl)-4-(3-methylphenoxy)butanamide
CID 103919173
N-[4-[3-(3-methylphenoxy)propylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 46438274
N-ethyl-3-(3-methylphenoxy)propanamide
CID 2129235
4-(3-methylphenoxy)-N-(2,2,2-trifluoroethyl)butanamide
CID 78786017
N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide
CID 62659653
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N-[2-(diethylamino)ethyl]-2-(3-methylphenyl)acetamide
CID 17144542
N-[2-(dimethylamino)ethyl]-4-(3-methoxyphenoxy)butanamide
CID 110486942
N-[2-(3-methylphenyl)ethyl]-4-phenoxybutanamide
CID 110288608
2-[2-[3-(3-methylphenoxy)propanoylamino]ethoxy]acetic acid
CID 79457981
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(3-methylphenoxy)butanamide
CID 134008156
5-(3-methylphenoxy)-N-prop-2-ynylpentanamide
CID 60584237

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-(3-methylphenoxy)butanamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-(3-methylphenoxy)butanamide (CID 78782902) is N-[2-(diethylamino)ethyl]-4-(3-methylphenoxy)butanamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-(3-methylphenoxy)butanamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-(3-methylphenoxy)butanamide is CCN(CC)CCNC(=O)CCCOc1cccc(C)c1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-(3-methylphenoxy)butanamide?
The InChIKey is MKMSHZFHRQHDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-19(5-2)12-11-18-17(20)10-7-13-21-16-9-6-8-15(3)14-16/h6,8-9,14H,4-5,7,10-13H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(diethylamino)ethyl]-4-(3-methylphenoxy)butanamide?
N-[2-(diethylamino)ethyl]-4-(3-methylphenoxy)butanamide has a molecular weight of 292.42 g/mol, XLogP of 2.61, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-(3-methylphenoxy)butanamide is sourced from PubChem (CID 78782902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).