N-[2-(dimethylamino)ethyl]-4-(3-methoxyphenoxy)butanamide

C15H24N2O3 — CID 110486942

IUPACN-[2-(dimethylamino)ethyl]-4-(3-methoxyphenoxy)butanamide
SMILESCOc1cccc(OCCCC(=O)NCCN(C)C)c1
InChIInChI=1S/C15H24N2O3/c1-17(2)10-9-16-15(18)8-5-11-20-14-7-4-6-13(12-14)19-3/h4,6-7,12H,5,8-11H2,1-3H3,(H,16,18)
InChIKeyCBTAWTBPSSHSHZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.53
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-4-(3-methoxyphenoxy)butanamide

N-[2-(dimethylamino)ethyl]-4-(3-methoxyphenoxy)butanamide (PubChem CID 110486942) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-(3-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-(3-methoxyphenoxy)butanamide
PubChem CID110486942
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-[2-(dimethylamino)ethyl]-4-(3-methoxyphenoxy)butanamide
SMILESCOc1cccc(OCCCC(=O)NCCN(C)C)c1
InChIInChI=1S/C15H24N2O3/c1-17(2)10-9-16-15(18)8-5-11-20-14-7-4-6-13(12-14)19-3/h4,6-7,12H,5,8-11H2,1-3H3,(H,16,18)
InChIKeyCBTAWTBPSSHSHZ-UHFFFAOYSA-N
XLogP1.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methoxyphenoxy)-N-pentylbutanamide
CID 110486945
N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
CID 113099798
3-(3-methoxyphenoxy)-N,N-dimethylpropan-1-amine;oxalic acid
CID 2935713
2-(3-methoxyphenoxy)-N,N-dimethylethanamine
CID 10081369
N-[2-(diethylamino)ethyl]-4-(3-methylphenoxy)butanamide
CID 78782902
N-[3-(dimethylamino)propyl]-2-(3-propoxyphenoxy)acetamide
CID 4733113
3-(3-methoxyphenoxy)-N-(2-piperidin-1-ylethyl)propanamide
CID 153319158
3-(N-acetyl-3-methoxyanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 113128887
N-[2-(3-methoxyphenoxy)ethyl]-3-methylbutanamide
CID 113099793
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methoxyphenyl)acetamide
CID 46399940
4-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(3-methoxyphenoxy)ethyl]butanamide
CID 100500855
4-(3,4-dichloro-N-methylsulfonylanilino)-N-[2-(3-methoxyphenoxy)ethyl]butanamide
CID 100500128

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-(3-methoxyphenoxy)butanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-(3-methoxyphenoxy)butanamide (CID 110486942) is N-[2-(dimethylamino)ethyl]-4-(3-methoxyphenoxy)butanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-(3-methoxyphenoxy)butanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-(3-methoxyphenoxy)butanamide is COc1cccc(OCCCC(=O)NCCN(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-(3-methoxyphenoxy)butanamide?
The InChIKey is CBTAWTBPSSHSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-17(2)10-9-16-15(18)8-5-11-20-14-7-4-6-13(12-14)19-3/h4,6-7,12H,5,8-11H2,1-3H3,(H,16,18).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-(3-methoxyphenoxy)butanamide?
N-[2-(dimethylamino)ethyl]-4-(3-methoxyphenoxy)butanamide has a molecular weight of 280.37 g/mol, XLogP of 1.53, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-(3-methoxyphenoxy)butanamide is sourced from PubChem (CID 110486942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).