N-[4-(diethylamino)phenyl]-4-(2-methylprop-2-enoxy)benzamide

C21H26N2O2 — CID 17123754

IUPACN-[4-(diethylamino)phenyl]-4-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1ccc(C(=O)Nc2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C21H26N2O2/c1-5-23(6-2)19-11-9-18(10-12-19)22-21(24)17-7-13-20(14-8-17)25-15-16(3)4/h7-14H,3,5-6,15H2,1-2,4H3,(H,22,24)
InChIKeyNTIPCKWFULXDBL-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.74
Rot. Bonds8

About N-[4-(diethylamino)phenyl]-4-(2-methylprop-2-enoxy)benzamide

N-[4-(diethylamino)phenyl]-4-(2-methylprop-2-enoxy)benzamide (PubChem CID 17123754) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-4-(2-methylprop-2-enoxy)benzamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-4-(2-methylprop-2-enoxy)benzamide
PubChem CID17123754
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[4-(diethylamino)phenyl]-4-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1ccc(C(=O)Nc2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C21H26N2O2/c1-5-23(6-2)19-11-9-18(10-12-19)22-21(24)17-7-13-20(14-8-17)25-15-16(3)4/h7-14H,3,5-6,15H2,1-2,4H3,(H,22,24)
InChIKeyNTIPCKWFULXDBL-UHFFFAOYSA-N
XLogP4.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(diethylamino)phenyl]-4-(2-methylprop-2-enoxy)benzamide 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

4-methoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097607
N-[4-(diethylamino)phenyl]-4-(2-methoxyethoxy)benzamide
CID 15943191
4-(2-methylprop-2-enoxy)-N-(4-propan-2-yloxyphenyl)benzamide
CID 17123815
4-(diethylamino)-N-(4-methoxyphenyl)benzamide
CID 23965088
4-(3-methylbutoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097690
N-[4-(diethylamino)phenyl]-4-phenoxybenzamide
CID 7900350
3-methyl-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097596
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(dimethylamino)benzamide
CID 38381282
1-N-(4-ethoxyphenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048413
4-N-tert-butyl-1-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048527
3-bromo-4-hexoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097707
N-(3-hexoxyphenyl)-4-(2-methylprop-2-enoxy)benzamide
CID 17123828

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-4-(2-methylprop-2-enoxy)benzamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-4-(2-methylprop-2-enoxy)benzamide (CID 17123754) is N-[4-(diethylamino)phenyl]-4-(2-methylprop-2-enoxy)benzamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-4-(2-methylprop-2-enoxy)benzamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-4-(2-methylprop-2-enoxy)benzamide is C=C(C)COc1ccc(C(=O)Nc2ccc(N(CC)CC)cc2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-4-(2-methylprop-2-enoxy)benzamide?
The InChIKey is NTIPCKWFULXDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-5-23(6-2)19-11-9-18(10-12-19)22-21(24)17-7-13-20(14-8-17)25-15-16(3)4/h7-14H,3,5-6,15H2,1-2,4H3,(H,22,24).
What are the key properties of N-[4-(diethylamino)phenyl]-4-(2-methylprop-2-enoxy)benzamide?
N-[4-(diethylamino)phenyl]-4-(2-methylprop-2-enoxy)benzamide has a molecular weight of 338.45 g/mol, XLogP of 4.74, 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]-4-(2-methylprop-2-enoxy)benzamide is sourced from PubChem (CID 17123754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).