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

C23H30N4O3 — CID 31699427

IUPACN-tert-butyl-4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1ccc(NCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C23H30N4O3/c1-23(2,3)26-22(29)17-4-6-18(7-5-17)24-16-21(28)25-19-8-10-20(11-9-19)27-12-14-30-15-13-27/h4-11,24H,12-16H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyKEEOKZNMQQNNBW-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.10
Rot. Bonds6

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

N-tert-butyl-4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide (PubChem CID 31699427) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-tert-butyl-4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide
PubChem CID31699427
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC NameN-tert-butyl-4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1ccc(NCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C23H30N4O3/c1-23(2,3)26-22(29)17-4-6-18(7-5-17)24-16-21(28)25-19-8-10-20(11-9-19)27-12-14-30-15-13-27/h4-11,24H,12-16H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyKEEOKZNMQQNNBW-UHFFFAOYSA-N
XLogP3.10
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 17475542
N-tert-butyl-4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834411
4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54835003
N-tert-butyl-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54832569
N-tert-butyl-4-[[2-(4-methoxyanilino)acetyl]amino]benzamide
CID 54812332
2-(4-morpholin-4-ylanilino)-N-propan-2-ylacetamide
CID 60647079
2-(ethylamino)-N-(4-morpholin-4-ylphenyl)acetamide;dihydrochloride
CID 20847919
N-butan-2-yl-4-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834376
2-[4-(diethylsulfamoyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4846803
N-ethyl-4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839441
N-(4-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362335
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-tert-butyl-4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide (CID 31699427) is N-tert-butyl-4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide is CC(C)(C)NC(=O)c1ccc(NCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of N-tert-butyl-4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide?
The InChIKey is KEEOKZNMQQNNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-23(2,3)26-22(29)17-4-6-18(7-5-17)24-16-21(28)25-19-8-10-20(11-9-19)27-12-14-30-15-13-27/h4-11,24H,12-16H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of N-tert-butyl-4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide?
N-tert-butyl-4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide has a molecular weight of 410.52 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 31699427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).