4-[methyl-[(3-phenoxyphenyl)carbamoyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide

C28H32N4O4 — CID 91340602

IUPAC4-[methyl-[(3-phenoxyphenyl)carbamoyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCN(C(=O)Nc1cccc(Oc2ccccc2)c1)c1ccc(C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C28H32N4O4/c1-31(28(34)30-23-7-5-10-26(21-23)36-25-8-3-2-4-9-25)24-13-11-22(12-14-24)27(33)29-15-6-16-32-17-19-35-20-18-32/h2-5,7-14,21H,6,15-20H2,1H3,(H,29,33)(H,30,34)
InChIKeyJOAXJUXKEAOKNP-UHFFFAOYSA-N
MW488.59 g/mol
LogP4.60
Rot. Bonds9

About 4-[methyl-[(3-phenoxyphenyl)carbamoyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide

4-[methyl-[(3-phenoxyphenyl)carbamoyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 91340602) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is 4-[methyl-[(3-phenoxyphenyl)carbamoyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name4-[methyl-[(3-phenoxyphenyl)carbamoyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID91340602
Molecular FormulaC28H32N4O4
Molecular Weight488.59 g/mol
Exact Mass488.24
IUPAC Name4-[methyl-[(3-phenoxyphenyl)carbamoyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCN(C(=O)Nc1cccc(Oc2ccccc2)c1)c1ccc(C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C28H32N4O4/c1-31(28(34)30-23-7-5-10-26(21-23)36-25-8-3-2-4-9-25)24-13-11-22(12-14-24)27(33)29-15-6-16-32-17-19-35-20-18-32/h2-5,7-14,21H,6,15-20H2,1H3,(H,29,33)(H,30,34)
InChIKeyJOAXJUXKEAOKNP-UHFFFAOYSA-N
XLogP4.60
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzylpiperidin-4-yl)-4-[methyl-[(3-phenoxyphenyl)carbamoyl]amino]benzamide
CID 91133841
2-methoxy-4-[[methyl-(4-phenoxyphenyl)carbamoyl]amino]-N-(3-piperidin-1-ylpropyl)benzamide
CID 58730686
3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide
CID 51162231
4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 62167538
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 3907319
N-(3-morpholin-4-ylpropyl)-4-phenylmethoxybenzamide
CID 17459626
1-[(2S)-4-morpholin-4-ylbutan-2-yl]-3-(3-phenoxyphenyl)urea
CID 97436919
methyl 3-(3-morpholin-4-ylpropylcarbamoyl)benzoate
CID 108786662
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 43002495
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(3-phenoxyphenyl)carbamoyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 4-[methyl-[(3-phenoxyphenyl)carbamoyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide (CID 91340602) is 4-[methyl-[(3-phenoxyphenyl)carbamoyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 4-[methyl-[(3-phenoxyphenyl)carbamoyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 4-[methyl-[(3-phenoxyphenyl)carbamoyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide is CN(C(=O)Nc1cccc(Oc2ccccc2)c1)c1ccc(C(=O)NCCCN2CCOCC2)cc1.
What is the InChIKey of 4-[methyl-[(3-phenoxyphenyl)carbamoyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is JOAXJUXKEAOKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4/c1-31(28(34)30-23-7-5-10-26(21-23)36-25-8-3-2-4-9-25)24-13-11-22(12-14-24)27(33)29-15-6-16-32-17-19-35-20-18-32/h2-5,7-14,21H,6,15-20H2,1H3,(H,29,33)(H,30,34).
What are the key properties of 4-[methyl-[(3-phenoxyphenyl)carbamoyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide?
4-[methyl-[(3-phenoxyphenyl)carbamoyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 488.59 g/mol, XLogP of 4.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(3-phenoxyphenyl)carbamoyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 91340602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).