N-[3-[[2-[3-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]hexanamide

C25H32N4O4 — CID 54836346

IUPACN-[3-[[2-[3-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(NC(=O)CNc2cccc(C(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C25H32N4O4/c1-2-3-4-11-23(30)27-21-9-6-10-22(17-21)28-24(31)18-26-20-8-5-7-19(16-20)25(32)29-12-14-33-15-13-29/h5-10,16-17,26H,2-4,11-15,18H2,1H3,(H,27,30)(H,28,31)
InChIKeyDHPHACAILIMILG-UHFFFAOYSA-N
MW452.56 g/mol
LogP3.73
Rot. Bonds10

About N-[3-[[2-[3-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]hexanamide

N-[3-[[2-[3-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]hexanamide (PubChem CID 54836346) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[3-[[2-[3-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]hexanamide.

Molecular Properties

Compound NameN-[3-[[2-[3-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]hexanamide
PubChem CID54836346
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC NameN-[3-[[2-[3-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(NC(=O)CNc2cccc(C(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C25H32N4O4/c1-2-3-4-11-23(30)27-21-9-6-10-22(17-21)28-24(31)18-26-20-8-5-7-19(16-20)25(32)29-12-14-33-15-13-29/h5-10,16-17,26H,2-4,11-15,18H2,1H3,(H,27,30)(H,28,31)
InChIKeyDHPHACAILIMILG-UHFFFAOYSA-N
XLogP3.73
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]phenyl]hexanamide
CID 54841375
N-[4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54836996
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-tert-butyl-3-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844342
N-[3-(piperidine-1-carbonyl)phenyl]tetradecanamide
CID 54791960
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]octanamide
CID 43886892
N-[4-[[2-[3-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54836716
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
N-tert-butyl-4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834411

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[3-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]hexanamide?
The IUPAC name of N-[3-[[2-[3-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]hexanamide (CID 54836346) is N-[3-[[2-[3-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]hexanamide.
What is the SMILES notation for N-[3-[[2-[3-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]hexanamide?
The canonical SMILES for N-[3-[[2-[3-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]hexanamide is CCCCCC(=O)Nc1cccc(NC(=O)CNc2cccc(C(=O)N3CCOCC3)c2)c1.
What is the InChIKey of N-[3-[[2-[3-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]hexanamide?
The InChIKey is DHPHACAILIMILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-2-3-4-11-23(30)27-21-9-6-10-22(17-21)28-24(31)18-26-20-8-5-7-19(16-20)25(32)29-12-14-33-15-13-29/h5-10,16-17,26H,2-4,11-15,18H2,1H3,(H,27,30)(H,28,31).
What are the key properties of N-[3-[[2-[3-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]hexanamide?
N-[3-[[2-[3-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]hexanamide has a molecular weight of 452.56 g/mol, XLogP of 3.73, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[3-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]hexanamide is sourced from PubChem (CID 54836346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).