2-[2-(cyclohexen-1-yl)ethylamino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide

C21H29N3O3 — CID 54815513

IUPAC2-[2-(cyclohexen-1-yl)ethylamino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
SMILESO=C(CNCCC1=CCCCC1)Nc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C21H29N3O3/c25-20(16-22-10-9-17-5-2-1-3-6-17)23-19-8-4-7-18(15-19)21(26)24-11-13-27-14-12-24/h4-5,7-8,15,22H,1-3,6,9-14,16H2,(H,23,25)
InChIKeyUZZBYLRMWIVKAX-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.58
Rot. Bonds7

About 2-[2-(cyclohexen-1-yl)ethylamino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide

2-[2-(cyclohexen-1-yl)ethylamino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide (PubChem CID 54815513) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethylamino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethylamino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
PubChem CID54815513
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name2-[2-(cyclohexen-1-yl)ethylamino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
SMILESO=C(CNCCC1=CCCCC1)Nc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C21H29N3O3/c25-20(16-22-10-9-17-5-2-1-3-6-17)23-19-8-4-7-18(15-19)21(26)24-11-13-27-14-12-24/h4-5,7-8,15,22H,1-3,6,9-14,16H2,(H,23,25)
InChIKeyUZZBYLRMWIVKAX-UHFFFAOYSA-N
XLogP2.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(cyclohexen-1-yl)ethylamino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54815445
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide
CID 54836739
N-[4-(azepane-1-carbonyl)phenyl]-2-[2-(cyclohexen-1-yl)ethylamino]acetamide
CID 54815339
2-[3-(morpholine-4-carbonyl)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54836347
2-(benzylamino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54813737
N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54815622
2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 46736679
2-[4-(morpholine-4-carbonyl)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54832001
2-(3-acetamidoanilino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54831502
N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843375
N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide
CID 54832192
N-tert-butyl-3-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844342

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide (CID 54815513) is 2-[2-(cyclohexen-1-yl)ethylamino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethylamino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethylamino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide is O=C(CNCCC1=CCCCC1)Nc1cccc(C(=O)N2CCOCC2)c1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethylamino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide?
The InChIKey is UZZBYLRMWIVKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c25-20(16-22-10-9-17-5-2-1-3-6-17)23-19-8-4-7-18(15-19)21(26)24-11-13-27-14-12-24/h4-5,7-8,15,22H,1-3,6,9-14,16H2,(H,23,25).
What are the key properties of 2-[2-(cyclohexen-1-yl)ethylamino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide?
2-[2-(cyclohexen-1-yl)ethylamino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide has a molecular weight of 371.48 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)ethylamino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide is sourced from PubChem (CID 54815513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).