N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(diethylamino)-2-methylanilino]acetamide

C21H33N3O — CID 108993988

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[4-(diethylamino)-2-methylanilino]acetamide
SMILESCCN(CC)c1ccc(NCC(=O)NCCC2=CCCCC2)c(C)c1
InChIInChI=1S/C21H33N3O/c1-4-24(5-2)19-11-12-20(17(3)15-19)23-16-21(25)22-14-13-18-9-7-6-8-10-18/h9,11-12,15,23H,4-8,10,13-14,16H2,1-3H3,(H,22,25)
InChIKeyZACKGZNGWARNFX-UHFFFAOYSA-N
MW343.52 g/mol
LogP4.26
Rot. Bonds9

About N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(diethylamino)-2-methylanilino]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(diethylamino)-2-methylanilino]acetamide (PubChem CID 108993988) has the molecular formula C21H33N3O and a molecular weight of 343.52 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(diethylamino)-2-methylanilino]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[4-(diethylamino)-2-methylanilino]acetamide
PubChem CID108993988
Molecular FormulaC21H33N3O
Molecular Weight343.52 g/mol
Exact Mass343.26
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[4-(diethylamino)-2-methylanilino]acetamide
SMILESCCN(CC)c1ccc(NCC(=O)NCCC2=CCCCC2)c(C)c1
InChIInChI=1S/C21H33N3O/c1-4-24(5-2)19-11-12-20(17(3)15-19)23-16-21(25)22-14-13-18-9-7-6-8-10-18/h9,11-12,15,23H,4-8,10,13-14,16H2,1-3H3,(H,22,25)
InChIKeyZACKGZNGWARNFX-UHFFFAOYSA-N
XLogP4.26
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-[2-(cyclohexen-1-yl)ethyl]-N'-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108943043
3-[2-(cyclohexen-1-yl)ethylamino]-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 109014975
2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 113159780
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4,6-trimethylanilino)acetamide
CID 54811825
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dimethyl-5-nitroanilino)acetamide
CID 112770379
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethyl-6-methylanilino)acetamide
CID 54819191
2-(N-acetyl-3,4-dimethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113168247
2-(2-bromoanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 54816624
N-[2-(cyclohexen-1-yl)ethyl]-3-(N-ethylanilino)propanamide
CID 109014714
3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841270
4-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 31671944
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylphenyl)acetamide
CID 92682179

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(diethylamino)-2-methylanilino]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(diethylamino)-2-methylanilino]acetamide (CID 108993988) is N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(diethylamino)-2-methylanilino]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(diethylamino)-2-methylanilino]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(diethylamino)-2-methylanilino]acetamide is CCN(CC)c1ccc(NCC(=O)NCCC2=CCCCC2)c(C)c1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(diethylamino)-2-methylanilino]acetamide?
The InChIKey is ZACKGZNGWARNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-4-24(5-2)19-11-12-20(17(3)15-19)23-16-21(25)22-14-13-18-9-7-6-8-10-18/h9,11-12,15,23H,4-8,10,13-14,16H2,1-3H3,(H,22,25).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(diethylamino)-2-methylanilino]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(diethylamino)-2-methylanilino]acetamide has a molecular weight of 343.52 g/mol, XLogP of 4.26, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(diethylamino)-2-methylanilino]acetamide is sourced from PubChem (CID 108993988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).