N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzamide

C21H28N2O — CID 959434

IUPACN-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(C(C)C)cc2)c(C)c1
InChIInChI=1S/C21H28N2O/c1-6-23(7-2)19-12-13-20(16(5)14-19)22-21(24)18-10-8-17(9-11-18)15(3)4/h8-15H,6-7H2,1-5H3,(H,22,24)
InChIKeyKHAGGODPCNPWSV-UHFFFAOYSA-N
MW324.47 g/mol
LogP5.22
Rot. Bonds6

About N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzamide

N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzamide (PubChem CID 959434) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzamide
PubChem CID959434
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(C(C)C)cc2)c(C)c1
InChIInChI=1S/C21H28N2O/c1-6-23(7-2)19-12-13-20(16(5)14-19)22-21(24)18-10-8-17(9-11-18)15(3)4/h8-15H,6-7H2,1-5H3,(H,22,24)
InChIKeyKHAGGODPCNPWSV-UHFFFAOYSA-N
XLogP5.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.47
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(diethylamino)-2-methylphenyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045551
N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzenesulfonamide
CID 3535359
(2S)-2-amino-N-[4-(diethylamino)-2-methylphenyl]-3-methylbutanamide
CID 22690785
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
N-(4-acetylphenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108514878
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
ethane;N-(2-methyl-4-propan-2-ylphenyl)benzamide
CID 156850007
1-(4-butan-2-ylphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 23514727
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108955230
N-[[4-(diethylamino)phenyl]carbamothioyl]-4-propan-2-ylbenzamide
CID 1016533
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-methylbutanamide
CID 113001640
2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079739

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzamide (CID 959434) is N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzamide is CCN(CC)c1ccc(NC(=O)c2ccc(C(C)C)cc2)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzamide?
The InChIKey is KHAGGODPCNPWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-6-23(7-2)19-12-13-20(16(5)14-19)22-21(24)18-10-8-17(9-11-18)15(3)4/h8-15H,6-7H2,1-5H3,(H,22,24).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzamide?
N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzamide has a molecular weight of 324.47 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 959434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).