N-[3-[acetyl(ethyl)amino]propyl]-2-(3,4-difluorophenoxy)propanamide

C16H22F2N2O3 — CID 51096765

IUPACN-[3-[acetyl(ethyl)amino]propyl]-2-(3,4-difluorophenoxy)propanamide
SMILESCCN(CCCNC(=O)C(C)Oc1ccc(F)c(F)c1)C(C)=O
InChIInChI=1S/C16H22F2N2O3/c1-4-20(12(3)21)9-5-8-19-16(22)11(2)23-13-6-7-14(17)15(18)10-13/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,19,22)
InChIKeyPAUHRBJUAFFMEZ-UHFFFAOYSA-N
MW328.36 g/mol
LogP2.11
Rot. Bonds8

About N-[3-[acetyl(ethyl)amino]propyl]-2-(3,4-difluorophenoxy)propanamide

N-[3-[acetyl(ethyl)amino]propyl]-2-(3,4-difluorophenoxy)propanamide (PubChem CID 51096765) has the molecular formula C16H22F2N2O3 and a molecular weight of 328.36 g/mol. Its IUPAC name is N-[3-[acetyl(ethyl)amino]propyl]-2-(3,4-difluorophenoxy)propanamide.

Molecular Properties

Compound NameN-[3-[acetyl(ethyl)amino]propyl]-2-(3,4-difluorophenoxy)propanamide
PubChem CID51096765
Molecular FormulaC16H22F2N2O3
Molecular Weight328.36 g/mol
Exact Mass328.16
IUPAC NameN-[3-[acetyl(ethyl)amino]propyl]-2-(3,4-difluorophenoxy)propanamide
SMILESCCN(CCCNC(=O)C(C)Oc1ccc(F)c(F)c1)C(C)=O
InChIInChI=1S/C16H22F2N2O3/c1-4-20(12(3)21)9-5-8-19-16(22)11(2)23-13-6-7-14(17)15(18)10-13/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,19,22)
InChIKeyPAUHRBJUAFFMEZ-UHFFFAOYSA-N
XLogP2.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[acetyl(ethyl)amino]propyl]-2-(3,4-difluorophenoxy)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

2-(3,4-difluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430409
N-butyl-2-(3-fluoro-4-methylphenoxy)propanamide
CID 107171439
2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-butylpropanamide
CID 107715865
(2S)-N-(cyclopropylmethyl)-2-(3,4-difluorophenoxy)propanamide
CID 95160340
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309
2-[2-(3,4-difluorophenoxy)propanoylamino]propanoic acid
CID 119225124
2-(4-fluorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 43391422
N-butyl-2-(4-cyano-3-fluorophenoxy)propanamide
CID 79822692
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methoxypropyl)propanamide
CID 107718364
2-(3,4-difluorophenoxy)pentan-3-one
CID 64869123
(2R)-2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]propanamide
CID 41368435
2-(3,4-difluorophenoxy)-N-(2-hydroxy-2-phenylethyl)propanamide
CID 51097366

Frequently Asked Questions

What is the IUPAC name of N-[3-[acetyl(ethyl)amino]propyl]-2-(3,4-difluorophenoxy)propanamide?
The IUPAC name of N-[3-[acetyl(ethyl)amino]propyl]-2-(3,4-difluorophenoxy)propanamide (CID 51096765) is N-[3-[acetyl(ethyl)amino]propyl]-2-(3,4-difluorophenoxy)propanamide.
What is the SMILES notation for N-[3-[acetyl(ethyl)amino]propyl]-2-(3,4-difluorophenoxy)propanamide?
The canonical SMILES for N-[3-[acetyl(ethyl)amino]propyl]-2-(3,4-difluorophenoxy)propanamide is CCN(CCCNC(=O)C(C)Oc1ccc(F)c(F)c1)C(C)=O.
What is the InChIKey of N-[3-[acetyl(ethyl)amino]propyl]-2-(3,4-difluorophenoxy)propanamide?
The InChIKey is PAUHRBJUAFFMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O3/c1-4-20(12(3)21)9-5-8-19-16(22)11(2)23-13-6-7-14(17)15(18)10-13/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,19,22).
What are the key properties of N-[3-[acetyl(ethyl)amino]propyl]-2-(3,4-difluorophenoxy)propanamide?
N-[3-[acetyl(ethyl)amino]propyl]-2-(3,4-difluorophenoxy)propanamide has a molecular weight of 328.36 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[acetyl(ethyl)amino]propyl]-2-(3,4-difluorophenoxy)propanamide is sourced from PubChem (CID 51096765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).