N-[2-amino-6-[4-(dimethylamino)benzoyl]phenyl]-4-methoxybenzamide

C23H23N3O3 — CID 70032488

IUPACN-[2-amino-6-[4-(dimethylamino)benzoyl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(N)cccc2C(=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C23H23N3O3/c1-26(2)17-11-7-15(8-12-17)22(27)19-5-4-6-20(24)21(19)25-23(28)16-9-13-18(29-3)14-10-16/h4-14H,24H2,1-3H3,(H,25,28)
InChIKeyMRBHONASLJSCHJ-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.83
Rot. Bonds6

About N-[2-amino-6-[4-(dimethylamino)benzoyl]phenyl]-4-methoxybenzamide

N-[2-amino-6-[4-(dimethylamino)benzoyl]phenyl]-4-methoxybenzamide (PubChem CID 70032488) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[2-amino-6-[4-(dimethylamino)benzoyl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-amino-6-[4-(dimethylamino)benzoyl]phenyl]-4-methoxybenzamide
PubChem CID70032488
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[2-amino-6-[4-(dimethylamino)benzoyl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(N)cccc2C(=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C23H23N3O3/c1-26(2)17-11-7-15(8-12-17)22(27)19-5-4-6-20(24)21(19)25-23(28)16-9-13-18(29-3)14-10-16/h4-14H,24H2,1-3H3,(H,25,28)
InChIKeyMRBHONASLJSCHJ-UHFFFAOYSA-N
XLogP3.83
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-amino-6-(2-butoxy-4-methoxybenzoyl)phenyl]-4-methoxybenzamide
CID 69360071
4-(dimethylamino)-N-(4-methoxyphenyl)benzamide
CID 867710
N-[2-amino-6-[2-(3-amino-2,2-dimethylpropoxy)-4-tert-butylbenzoyl]phenyl]-4-methoxybenzamide
CID 68545589
1-N-[4-(dimethylamino)phenyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050069
N-[2-amino-6-(4-methoxybenzoyl)phenyl]-5-oxo-5-piperidin-1-ylpentanamide
CID 69361211
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-4-methoxybenzamide
CID 113049591
methyl 2-amino-3-(4-methoxybenzoyl)benzoate
CID 18694348
N-[2-amino-6-(4-methoxybenzoyl)phenyl]-5-morpholin-4-yl-5-oxopentanamide
CID 69361664
(2,4-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanone
CID 3243415
3-amino-2-(4-methoxy-N-methylanilino)benzoic acid
CID 115934754
N-(2,6-dimethylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1260716
tert-butyl N-[3-[2-[3-amino-2-[(4-methoxybenzoyl)amino]benzoyl]-5-phenylmethoxyphenoxy]propyl]carbamate
CID 68549364

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-6-[4-(dimethylamino)benzoyl]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[2-amino-6-[4-(dimethylamino)benzoyl]phenyl]-4-methoxybenzamide (CID 70032488) is N-[2-amino-6-[4-(dimethylamino)benzoyl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-amino-6-[4-(dimethylamino)benzoyl]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-amino-6-[4-(dimethylamino)benzoyl]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2c(N)cccc2C(=O)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N-[2-amino-6-[4-(dimethylamino)benzoyl]phenyl]-4-methoxybenzamide?
The InChIKey is MRBHONASLJSCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-26(2)17-11-7-15(8-12-17)22(27)19-5-4-6-20(24)21(19)25-23(28)16-9-13-18(29-3)14-10-16/h4-14H,24H2,1-3H3,(H,25,28).
What are the key properties of N-[2-amino-6-[4-(dimethylamino)benzoyl]phenyl]-4-methoxybenzamide?
N-[2-amino-6-[4-(dimethylamino)benzoyl]phenyl]-4-methoxybenzamide has a molecular weight of 389.46 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-6-[4-(dimethylamino)benzoyl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 70032488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).