4-tert-butyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide

C23H29N3O3 — CID 17475542

IUPAC4-tert-butyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C23H29N3O3/c1-23(2,3)18-6-4-17(5-7-18)22(28)24-16-21(27)25-19-8-10-20(11-9-19)26-12-14-29-15-13-26/h4-11H,12-16H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyYDIAQTDPISBCBP-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.19
Rot. Bonds5

About 4-tert-butyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide

4-tert-butyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide (PubChem CID 17475542) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
PubChem CID17475542
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name4-tert-butyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C23H29N3O3/c1-23(2,3)18-6-4-17(5-7-18)22(28)24-16-21(27)25-19-8-10-20(11-9-19)26-12-14-29-15-13-26/h4-11H,12-16H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyYDIAQTDPISBCBP-UHFFFAOYSA-N
XLogP3.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.19
H-Bond Donors ≤ 52
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

N-tert-butyl-4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide
CID 31699427
N-[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl]-4-tert-butylbenzamide
CID 46669454
2-amino-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide
CID 61253868
N-(2,2-dimethylpropyl)-4-morpholin-4-ylbenzamide
CID 110474046
4-chloro-N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]benzamide
CID 110601103
2-(ethylamino)-N-(4-morpholin-4-ylphenyl)acetamide;dihydrochloride
CID 20847919
4-tert-butyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258300
2-iodo-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 35014699
4-tert-butyl-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
CID 26058928
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 682745
N-[2-(4-tert-butylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 27258854

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide (CID 17475542) is 4-tert-butyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide is CC(C)(C)c1ccc(C(=O)NCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide?
The InChIKey is YDIAQTDPISBCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-23(2,3)18-6-4-17(5-7-18)22(28)24-16-21(27)25-19-8-10-20(11-9-19)26-12-14-29-15-13-26/h4-11H,12-16H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of 4-tert-butyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide?
4-tert-butyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide has a molecular weight of 395.50 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 17475542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).