N-tert-butyl-3-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide

C24H30N4O4 — CID 54844342

IUPACN-tert-butyl-3-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C24H30N4O4/c1-24(2,3)27-22(30)17-6-4-8-19(14-17)25-16-21(29)26-20-9-5-7-18(15-20)23(31)28-10-12-32-13-11-28/h4-9,14-15,25H,10-13,16H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyKHTRPSSMFNZYHD-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.74
Rot. Bonds6

About N-tert-butyl-3-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide

N-tert-butyl-3-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54844342) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-tert-butyl-3-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54844342
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC NameN-tert-butyl-3-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C24H30N4O4/c1-24(2,3)27-22(30)17-6-4-8-19(14-17)25-16-21(29)26-20-9-5-7-18(15-20)23(31)28-10-12-32-13-11-28/h4-9,14-15,25H,10-13,16H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyKHTRPSSMFNZYHD-UHFFFAOYSA-N
XLogP2.74
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-3-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834411
2-(3-acetamidoanilino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54831502
2-[3-(morpholine-4-carbonyl)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54836347
N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide
CID 54832192
1-tert-butyl-3-[3-(morpholine-4-carbonyl)phenyl]urea
CID 78894338
N-tert-butyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834474
N-[3-[[2-[3-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]hexanamide
CID 54836346
N-[4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54836996
N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843375
2-[4-(morpholine-4-carbonyl)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54832001
N,N-dimethyl-4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54840817
3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844558

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-tert-butyl-3-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide (CID 54844342) is N-tert-butyl-3-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-3-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-3-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide is CC(C)(C)NC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c1.
What is the InChIKey of N-tert-butyl-3-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is KHTRPSSMFNZYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-24(2,3)27-22(30)17-6-4-8-19(14-17)25-16-21(29)26-20-9-5-7-18(15-20)23(31)28-10-12-32-13-11-28/h4-9,14-15,25H,10-13,16H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of N-tert-butyl-3-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide?
N-tert-butyl-3-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 438.53 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54844342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).