3-(dimethylamino)-N-[4-methyl-3-[4-(morpholine-4-carbonyl)phenyl]phenyl]benzamide

C27H29N3O3 — CID 50995963

IUPAC3-(dimethylamino)-N-[4-methyl-3-[4-(morpholine-4-carbonyl)phenyl]phenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1-c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C27H29N3O3/c1-19-7-12-23(28-26(31)22-5-4-6-24(17-22)29(2)3)18-25(19)20-8-10-21(11-9-20)27(32)30-13-15-33-16-14-30/h4-12,17-18H,13-16H2,1-3H3,(H,28,31)
InChIKeyOPXJXENMZKGYFG-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.45
Rot. Bonds5

About 3-(dimethylamino)-N-[4-methyl-3-[4-(morpholine-4-carbonyl)phenyl]phenyl]benzamide

3-(dimethylamino)-N-[4-methyl-3-[4-(morpholine-4-carbonyl)phenyl]phenyl]benzamide (PubChem CID 50995963) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[4-methyl-3-[4-(morpholine-4-carbonyl)phenyl]phenyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[4-methyl-3-[4-(morpholine-4-carbonyl)phenyl]phenyl]benzamide
PubChem CID50995963
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name3-(dimethylamino)-N-[4-methyl-3-[4-(morpholine-4-carbonyl)phenyl]phenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1-c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C27H29N3O3/c1-19-7-12-23(28-26(31)22-5-4-6-24(17-22)29(2)3)18-25(19)20-8-10-21(11-9-20)27(32)30-13-15-33-16-14-30/h4-12,17-18H,13-16H2,1-3H3,(H,28,31)
InChIKeyOPXJXENMZKGYFG-UHFFFAOYSA-N
XLogP4.45
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 55748732
3-(dimethylamino)-N-[3-(1H-indol-5-yl)-4-methylphenyl]benzamide
CID 50995790
N-(3-acetamidophenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045524
N-[3-(morpholine-4-carbonyl)phenyl]-4-phenylbenzamide
CID 17205412
3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
N-(2,6-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide
CID 109052897
(E)-3-[3-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]phenyl]prop-2-enoic acid
CID 50995047
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(dimethylamino)benzamide
CID 26070602
ethyl 4-[[3-(morpholine-4-carbonyl)benzoyl]amino]benzoate
CID 109052957
N-(2,3-dihydro-1-benzofuran-5-yl)-3-(dimethylamino)benzamide
CID 34441263
N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86996534
N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide
CID 54832192

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[4-methyl-3-[4-(morpholine-4-carbonyl)phenyl]phenyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[4-methyl-3-[4-(morpholine-4-carbonyl)phenyl]phenyl]benzamide (CID 50995963) is 3-(dimethylamino)-N-[4-methyl-3-[4-(morpholine-4-carbonyl)phenyl]phenyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[4-methyl-3-[4-(morpholine-4-carbonyl)phenyl]phenyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[4-methyl-3-[4-(morpholine-4-carbonyl)phenyl]phenyl]benzamide is Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1-c1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of 3-(dimethylamino)-N-[4-methyl-3-[4-(morpholine-4-carbonyl)phenyl]phenyl]benzamide?
The InChIKey is OPXJXENMZKGYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-19-7-12-23(28-26(31)22-5-4-6-24(17-22)29(2)3)18-25(19)20-8-10-21(11-9-20)27(32)30-13-15-33-16-14-30/h4-12,17-18H,13-16H2,1-3H3,(H,28,31).
What are the key properties of 3-(dimethylamino)-N-[4-methyl-3-[4-(morpholine-4-carbonyl)phenyl]phenyl]benzamide?
3-(dimethylamino)-N-[4-methyl-3-[4-(morpholine-4-carbonyl)phenyl]phenyl]benzamide has a molecular weight of 443.55 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[4-methyl-3-[4-(morpholine-4-carbonyl)phenyl]phenyl]benzamide is sourced from PubChem (CID 50995963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).