N-[4-(dimethylamino)phenyl]-3,5-dimethylbenzamide

C17H20N2O — CID 918563

IUPACN-[4-(dimethylamino)phenyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C17H20N2O/c1-12-9-13(2)11-14(10-12)17(20)18-15-5-7-16(8-6-15)19(3)4/h5-11H,1-4H3,(H,18,20)
InChIKeyRHWRPTVCGCRQTB-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.62
Rot. Bonds3

About N-[4-(dimethylamino)phenyl]-3,5-dimethylbenzamide

N-[4-(dimethylamino)phenyl]-3,5-dimethylbenzamide (PubChem CID 918563) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-3,5-dimethylbenzamide
PubChem CID918563
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[4-(dimethylamino)phenyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C17H20N2O/c1-12-9-13(2)11-14(10-12)17(20)18-15-5-7-16(8-6-15)19(3)4/h5-11H,1-4H3,(H,18,20)
InChIKeyRHWRPTVCGCRQTB-UHFFFAOYSA-N
XLogP3.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.62
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-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679
4-[[4-(dimethylamino)phenyl]carbamoyl]benzoyl chloride
CID 122527773
4-(dimethylamino)-N-(4-iodophenyl)benzamide
CID 590767
3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
4-amino-N-[4-[4-[[4-(dimethylamino)benzoyl]amino]anilino]phenyl]benzamide
CID 129035701
N-[4-(dimethylamino)phenyl]-4-methylthiophene-2-carboxamide
CID 110861965
[2,3-diacetyloxy-5-[[4-(dimethylamino)phenyl]carbamoyl]phenyl] acetate
CID 2326725
4-(dimethylamino)-N-(4-methoxyphenyl)benzamide
CID 867710
N-(4-aminophenyl)-3-fluoro-5-methylbenzamide
CID 113265229
4-N-tert-butyl-1-N-[4-(dimethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048526
N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109219981
1-N-[4-(dimethylamino)phenyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056881

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-3,5-dimethylbenzamide (CID 918563) is N-[4-(dimethylamino)phenyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)Nc2ccc(N(C)C)cc2)c1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-3,5-dimethylbenzamide?
The InChIKey is RHWRPTVCGCRQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-9-13(2)11-14(10-12)17(20)18-15-5-7-16(8-6-15)19(3)4/h5-11H,1-4H3,(H,18,20).
What are the key properties of N-[4-(dimethylamino)phenyl]-3,5-dimethylbenzamide?
N-[4-(dimethylamino)phenyl]-3,5-dimethylbenzamide has a molecular weight of 268.36 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 918563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).