N-[3-(dimethylamino)propyl]-3-(4-ethylphenoxy)propanamide

C16H26N2O2 — CID 108795819

IUPACN-[3-(dimethylamino)propyl]-3-(4-ethylphenoxy)propanamide
SMILESCCc1ccc(OCCC(=O)NCCCN(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-4-14-6-8-15(9-7-14)20-13-10-16(19)17-11-5-12-18(2)3/h6-9H,4-5,10-13H2,1-3H3,(H,17,19)
InChIKeyKVYMRXWNMWGFSZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.09
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-3-(4-ethylphenoxy)propanamide

N-[3-(dimethylamino)propyl]-3-(4-ethylphenoxy)propanamide (PubChem CID 108795819) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-(4-ethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-(4-ethylphenoxy)propanamide
PubChem CID108795819
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[3-(dimethylamino)propyl]-3-(4-ethylphenoxy)propanamide
SMILESCCc1ccc(OCCC(=O)NCCCN(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-4-14-6-8-15(9-7-14)20-13-10-16(19)17-11-5-12-18(2)3/h6-9H,4-5,10-13H2,1-3H3,(H,17,19)
InChIKeyKVYMRXWNMWGFSZ-UHFFFAOYSA-N
XLogP2.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(dimethylamino)propyl]-3-(4-ethylphenoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-decyl-3-(4-ethylphenoxy)propanamide
CID 108795844
N-(3-aminopropyl)-3-(4-ethylphenoxy)propanamide
CID 110834162
N-(3-ethoxypropyl)-3-(4-ethylphenoxy)propanamide
CID 108795737
N-[2-(N-acetyl-4-ethylanilino)ethyl]-3-phenoxypropanamide
CID 113058428
N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethylbenzamide
CID 86898199
4-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]butanamide
CID 119877301
1-[3-(dimethylamino)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108988343
1-[3-(dimethylamino)propyl]-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970015
2-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]acetamide
CID 83332704
2-(N-acetyl-4-ethylanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113169224
N-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 110757113
N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide
CID 110755343

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-(4-ethylphenoxy)propanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-(4-ethylphenoxy)propanamide (CID 108795819) is N-[3-(dimethylamino)propyl]-3-(4-ethylphenoxy)propanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-(4-ethylphenoxy)propanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-(4-ethylphenoxy)propanamide is CCc1ccc(OCCC(=O)NCCCN(C)C)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-(4-ethylphenoxy)propanamide?
The InChIKey is KVYMRXWNMWGFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-14-6-8-15(9-7-14)20-13-10-16(19)17-11-5-12-18(2)3/h6-9H,4-5,10-13H2,1-3H3,(H,17,19).
What are the key properties of N-[3-(dimethylamino)propyl]-3-(4-ethylphenoxy)propanamide?
N-[3-(dimethylamino)propyl]-3-(4-ethylphenoxy)propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.09, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-(4-ethylphenoxy)propanamide is sourced from PubChem (CID 108795819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).