N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide

C21H29N3O3 — CID 54836739

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide
SMILESO=C(CNc1cccc(C(=O)N2CCOCC2)c1)NCCC1=CCCCC1
InChIInChI=1S/C21H29N3O3/c25-20(22-10-9-17-5-2-1-3-6-17)16-23-19-8-4-7-18(15-19)21(26)24-11-13-27-14-12-24/h4-5,7-8,15,23H,1-3,6,9-14,16H2,(H,22,25)
InChIKeyQRAYZUPGAVPDDV-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.58
Rot. Bonds7

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

N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide (PubChem CID 54836739) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide
PubChem CID54836739
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide
SMILESO=C(CNc1cccc(C(=O)N2CCOCC2)c1)NCCC1=CCCCC1
InChIInChI=1S/C21H29N3O3/c25-20(22-10-9-17-5-2-1-3-6-17)16-23-19-8-4-7-18(15-19)21(26)24-11-13-27-14-12-24/h4-5,7-8,15,23H,1-3,6,9-14,16H2,(H,22,25)
InChIKeyQRAYZUPGAVPDDV-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(cyclohexen-1-yl)ethylamino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54815513
2-[4-(azepane-1-carbonyl)anilino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 54834873
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide
CID 10365210
3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841270
N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839268
2-[2-(cyclohexen-1-yl)ethylamino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54815445
2-[3-(morpholine-4-carbonyl)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54836347
3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837486
N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54835510
N-[2-(cyclohexen-1-yl)ethyl]-2-(naphthalen-2-ylamino)acetamide
CID 31665923
N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843375
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109052413

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide (CID 54836739) is N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide is O=C(CNc1cccc(C(=O)N2CCOCC2)c1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide?
The InChIKey is QRAYZUPGAVPDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c25-20(22-10-9-17-5-2-1-3-6-17)16-23-19-8-4-7-18(15-19)21(26)24-11-13-27-14-12-24/h4-5,7-8,15,23H,1-3,6,9-14,16H2,(H,22,25).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]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 N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide is sourced from PubChem (CID 54836739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).