N-[4-(diethylamino)-2-methylphenyl]-4-(morpholine-4-carbonyl)benzamide

C23H29N3O3 — CID 109045551

IUPACN-[4-(diethylamino)-2-methylphenyl]-4-(morpholine-4-carbonyl)benzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)c(C)c1
InChIInChI=1S/C23H29N3O3/c1-4-25(5-2)20-10-11-21(17(3)16-20)24-22(27)18-6-8-19(9-7-18)23(28)26-12-14-29-15-13-26/h6-11,16H,4-5,12-15H2,1-3H3,(H,24,27)
InChIKeyLKAFPHVZTFUTTC-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.57
Rot. Bonds6

About N-[4-(diethylamino)-2-methylphenyl]-4-(morpholine-4-carbonyl)benzamide

N-[4-(diethylamino)-2-methylphenyl]-4-(morpholine-4-carbonyl)benzamide (PubChem CID 109045551) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-4-(morpholine-4-carbonyl)benzamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-4-(morpholine-4-carbonyl)benzamide
PubChem CID109045551
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-4-(morpholine-4-carbonyl)benzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)c(C)c1
InChIInChI=1S/C23H29N3O3/c1-4-25(5-2)20-10-11-21(17(3)16-20)24-22(27)18-6-8-19(9-7-18)23(28)26-12-14-29-15-13-26/h6-11,16H,4-5,12-15H2,1-3H3,(H,24,27)
InChIKeyLKAFPHVZTFUTTC-UHFFFAOYSA-N
XLogP3.57
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[4-(diethylamino)-2-methylanilino]-4-pyridinyl]-morpholin-4-ylmethanone
CID 109167377
N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzamide
CID 959434
[2-[4-(diethylamino)-2-methylanilino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300688
7-(diethylamino)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]quinoline-3-carboxamide
CID 169320058
N-(2,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide
CID 109052893
1-methyl-N-[2-methyl-4-(morpholine-4-carbonyl)phenyl]benzimidazole-5-carboxamide
CID 136519385
4-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide
CID 109049129
N-(4-chloro-2-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30265040
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045550
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 113001675
N-(2,5-dichlorophenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045546
N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 108504667

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-4-(morpholine-4-carbonyl)benzamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-4-(morpholine-4-carbonyl)benzamide (CID 109045551) is N-[4-(diethylamino)-2-methylphenyl]-4-(morpholine-4-carbonyl)benzamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-4-(morpholine-4-carbonyl)benzamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-4-(morpholine-4-carbonyl)benzamide is CCN(CC)c1ccc(NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-4-(morpholine-4-carbonyl)benzamide?
The InChIKey is LKAFPHVZTFUTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-4-25(5-2)20-10-11-21(17(3)16-20)24-22(27)18-6-8-19(9-7-18)23(28)26-12-14-29-15-13-26/h6-11,16H,4-5,12-15H2,1-3H3,(H,24,27).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-4-(morpholine-4-carbonyl)benzamide?
N-[4-(diethylamino)-2-methylphenyl]-4-(morpholine-4-carbonyl)benzamide has a molecular weight of 395.50 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-4-(morpholine-4-carbonyl)benzamide is sourced from PubChem (CID 109045551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).