N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)propanamide

C21H28N2O2 — CID 4953277

IUPACN-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)propanamide
SMILESCCc1ccc(OC(C)C(=O)Nc2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C21H28N2O2/c1-5-17-8-14-20(15-9-17)25-16(4)21(24)22-18-10-12-19(13-11-18)23(6-2)7-3/h8-16H,5-7H2,1-4H3,(H,22,24)
InChIKeyCYLPPGRRMIZULX-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.50
Rot. Bonds8

About N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)propanamide

N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)propanamide (PubChem CID 4953277) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)propanamide
PubChem CID4953277
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)propanamide
SMILESCCc1ccc(OC(C)C(=O)Nc2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C21H28N2O2/c1-5-17-8-14-20(15-9-17)25-16(4)21(24)22-18-10-12-19(13-11-18)23(6-2)7-3/h8-16H,5-7H2,1-4H3,(H,22,24)
InChIKeyCYLPPGRRMIZULX-UHFFFAOYSA-N
XLogP4.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)phenyl]-2-(4-methylphenoxy)propanamide
CID 4928472
N-(4-acetamidophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953258
N-(4-ethylphenyl)-2-(4-formylphenoxy)propanamide
CID 23409645
2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide
CID 132791420
(2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide
CID 7703328
(2S)-N-(4-ethylphenyl)-2-(4-propanoylphenoxy)propanamide
CID 8604722
N-[4-(diethylamino)phenyl]-2-(4-nitrophenoxy)propanamide
CID 4951209
(2S)-2-(4-ethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 9237321
N-ethyl-4-[2-(4-ethylphenoxy)propanoylamino]benzamide
CID 17234371
4-[2-(4-ethylphenoxy)propanoylamino]-N,N-dipropylbenzamide
CID 17196211
2-(4-ethylphenoxy)-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]propanamide
CID 4953267
2-(4-ethylphenoxy)-N-(4-heptoxyphenyl)propanamide
CID 4953412

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)propanamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)propanamide (CID 4953277) is N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)propanamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)propanamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)propanamide is CCc1ccc(OC(C)C(=O)Nc2ccc(N(CC)CC)cc2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)propanamide?
The InChIKey is CYLPPGRRMIZULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-5-17-8-14-20(15-9-17)25-16(4)21(24)22-18-10-12-19(13-11-18)23(6-2)7-3/h8-16H,5-7H2,1-4H3,(H,22,24).
What are the key properties of N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)propanamide?
N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)propanamide has a molecular weight of 340.47 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)propanamide is sourced from PubChem (CID 4953277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).