N-(2,6-dimethylphenyl)-2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetamide

C19H29N3O2 — CID 8793567

IUPACN-(2,6-dimethylphenyl)-2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetamide
SMILESC=C(C)CN(CC)C(=O)CN(C)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C19H29N3O2/c1-7-22(11-14(2)3)18(24)13-21(6)12-17(23)20-19-15(4)9-8-10-16(19)5/h8-10H,2,7,11-13H2,1,3-6H3,(H,20,23)
InChIKeySKZKUWDWSKPWLJ-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.60
Rot. Bonds8

About N-(2,6-dimethylphenyl)-2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetamide

N-(2,6-dimethylphenyl)-2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetamide (PubChem CID 8793567) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetamide
PubChem CID8793567
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-(2,6-dimethylphenyl)-2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetamide
SMILESC=C(C)CN(CC)C(=O)CN(C)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C19H29N3O2/c1-7-22(11-14(2)3)18(24)13-21(6)12-17(23)20-19-15(4)9-8-10-16(19)5/h8-10H,2,7,11-13H2,1,3-6H3,(H,20,23)
InChIKeySKZKUWDWSKPWLJ-UHFFFAOYSA-N
XLogP2.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dimethylphenyl)-2-[[2-(N-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 8793555
N-(2,6-dimethylphenyl)-2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
CID 9221772
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
CID 89442401
CID 89442401
methyl N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9221932
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-2-hydroxy-2,2-diphenylacetamide
CID 167875350
2-[ethyl(methyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 60516691
2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 17449089
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-2-(2-methoxyethylamino)acetamide
CID 119803874
N-(3-chloro-2-methylphenyl)-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8692061
2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442339
3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-3-phenylpropanamide;hydrochloride
CID 119952064

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetamide (CID 8793567) is N-(2,6-dimethylphenyl)-2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetamide is C=C(C)CN(CC)C(=O)CN(C)CC(=O)Nc1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetamide?
The InChIKey is SKZKUWDWSKPWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-7-22(11-14(2)3)18(24)13-21(6)12-17(23)20-19-15(4)9-8-10-16(19)5/h8-10H,2,7,11-13H2,1,3-6H3,(H,20,23).
What are the key properties of N-(2,6-dimethylphenyl)-2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetamide?
N-(2,6-dimethylphenyl)-2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetamide has a molecular weight of 331.46 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 8793567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).