N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide

C23H34N4O3 — CID 8592880

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
SMILESCN(CC(=O)NCCC1=CCCCC1)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H34N4O3/c1-26(17-22(28)24-12-11-19-5-3-2-4-6-19)18-23(29)25-20-7-9-21(10-8-20)27-13-15-30-16-14-27/h5,7-10H,2-4,6,11-18H2,1H3,(H,24,28)(H,25,29)
InChIKeyADJHKRMDSQVKJX-UHFFFAOYSA-N
MW414.55 g/mol
LogP2.40
Rot. Bonds9

About N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide (PubChem CID 8592880) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
PubChem CID8592880
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
SMILESCN(CC(=O)NCCC1=CCCCC1)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H34N4O3/c1-26(17-22(28)24-12-11-19-5-3-2-4-6-19)18-23(29)25-20-7-9-21(10-8-20)27-13-15-30-16-14-27/h5,7-10H,2-4,6,11-18H2,1H3,(H,24,28)(H,25,29)
InChIKeyADJHKRMDSQVKJX-UHFFFAOYSA-N
XLogP2.40
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
CID 8592798
2-[methyl-[2-(4-methylsulfanylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55464363
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8592818
N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-morpholin-4-ylphenyl)oxamide
CID 87039300
N-[2-(cyclohexen-1-yl)ethyl]-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108984207
2-[methyl-[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55464279
3-[2-(cyclohexen-1-yl)ethylamino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 109014944
2-[[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592894
2-[methyl-[2-(4-nitroanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55354340
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4818824
2-[(2,5-dimethylphenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592750

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide (CID 8592880) is N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide is CN(CC(=O)NCCC1=CCCCC1)CC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide?
The InChIKey is ADJHKRMDSQVKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-26(17-22(28)24-12-11-19-5-3-2-4-6-19)18-23(29)25-20-7-9-21(10-8-20)27-13-15-30-16-14-27/h5,7-10H,2-4,6,11-18H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide has a molecular weight of 414.55 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 8592880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).