4-methyl-3-[[methyl(2-morpholin-4-ylethyl)carbamoyl]amino]-N-phenylbenzamide

C22H28N4O3 — CID 71877034

IUPAC4-methyl-3-[[methyl(2-morpholin-4-ylethyl)carbamoyl]amino]-N-phenylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N(C)CCN1CCOCC1
InChIInChI=1S/C22H28N4O3/c1-17-8-9-18(21(27)23-19-6-4-3-5-7-19)16-20(17)24-22(28)25(2)10-11-26-12-14-29-15-13-26/h3-9,16H,10-15H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyPJDMYKOXLQSFQQ-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.04
Rot. Bonds6

About 4-methyl-3-[[methyl(2-morpholin-4-ylethyl)carbamoyl]amino]-N-phenylbenzamide

4-methyl-3-[[methyl(2-morpholin-4-ylethyl)carbamoyl]amino]-N-phenylbenzamide (PubChem CID 71877034) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-methyl-3-[[methyl(2-morpholin-4-ylethyl)carbamoyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name4-methyl-3-[[methyl(2-morpholin-4-ylethyl)carbamoyl]amino]-N-phenylbenzamide
PubChem CID71877034
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name4-methyl-3-[[methyl(2-morpholin-4-ylethyl)carbamoyl]amino]-N-phenylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N(C)CCN1CCOCC1
InChIInChI=1S/C22H28N4O3/c1-17-8-9-18(21(27)23-19-6-4-3-5-7-19)16-20(17)24-22(28)25(2)10-11-26-12-14-29-15-13-26/h3-9,16H,10-15H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyPJDMYKOXLQSFQQ-UHFFFAOYSA-N
XLogP3.04
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 17226356
3-benzamido-N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55630958
3-acetamido-N-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 110752365
3-methyl-N-[4-methyl-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 143219426
methyl 4-methyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
CID 30396966
4-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-N-(3-morpholin-4-ylphenyl)benzamide
CID 22636122
3-N-(3-acetylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109053343
N'-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 55746271
3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55631501
4-methyl-3-(phenylcarbamoylamino)-N-(2-piperazin-1-ylethyl)benzamide
CID 119448778
4-methyl-N-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]benzamide
CID 31136249
N-[2-methyl-5-(4-morpholin-4-ylbutylcarbamoyl)phenyl]furan-2-carboxamide
CID 55742434

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[methyl(2-morpholin-4-ylethyl)carbamoyl]amino]-N-phenylbenzamide?
The IUPAC name of 4-methyl-3-[[methyl(2-morpholin-4-ylethyl)carbamoyl]amino]-N-phenylbenzamide (CID 71877034) is 4-methyl-3-[[methyl(2-morpholin-4-ylethyl)carbamoyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 4-methyl-3-[[methyl(2-morpholin-4-ylethyl)carbamoyl]amino]-N-phenylbenzamide?
The canonical SMILES for 4-methyl-3-[[methyl(2-morpholin-4-ylethyl)carbamoyl]amino]-N-phenylbenzamide is Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N(C)CCN1CCOCC1.
What is the InChIKey of 4-methyl-3-[[methyl(2-morpholin-4-ylethyl)carbamoyl]amino]-N-phenylbenzamide?
The InChIKey is PJDMYKOXLQSFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-17-8-9-18(21(27)23-19-6-4-3-5-7-19)16-20(17)24-22(28)25(2)10-11-26-12-14-29-15-13-26/h3-9,16H,10-15H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 4-methyl-3-[[methyl(2-morpholin-4-ylethyl)carbamoyl]amino]-N-phenylbenzamide?
4-methyl-3-[[methyl(2-morpholin-4-ylethyl)carbamoyl]amino]-N-phenylbenzamide has a molecular weight of 396.49 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[methyl(2-morpholin-4-ylethyl)carbamoyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 71877034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).