2-[[2-(4-amino-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-methylacetamide

C14H22N4O3 — CID 43574894

IUPAC2-[[2-(4-amino-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)CC(=O)Nc1ccc(N)cc1OC
InChIInChI=1S/C14H22N4O3/c1-4-18(8-13(19)16-2)9-14(20)17-11-6-5-10(15)7-12(11)21-3/h5-7H,4,8-9,15H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyGUCJRRZWMUSNLE-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.28
Rot. Bonds7

About 2-[[2-(4-amino-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-methylacetamide

2-[[2-(4-amino-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-methylacetamide (PubChem CID 43574894) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[[2-(4-amino-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-(4-amino-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-methylacetamide
PubChem CID43574894
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name2-[[2-(4-amino-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)CC(=O)Nc1ccc(N)cc1OC
InChIInChI=1S/C14H22N4O3/c1-4-18(8-13(19)16-2)9-14(20)17-11-6-5-10(15)7-12(11)21-3/h5-7H,4,8-9,15H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyGUCJRRZWMUSNLE-UHFFFAOYSA-N
XLogP0.28
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 16779548
N-(4-amino-2-methoxyphenyl)nonanamide
CID 65447968
N-(4-amino-2-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]acetamide
CID 62861269
N-(4-amino-2-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]acetamide
CID 43588199
N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63955922
N-(5-amino-2-methoxyphenyl)-2-[bis(cyanomethyl)amino]acetamide
CID 18070557
N-(4-amino-2-methoxyphenyl)-3-propylsulfinylpropanamide
CID 61304446
2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43374519
2-(diethylamino)-N-(2,5-dimethoxyphenyl)acetamide
CID 11666162
2-[[2-(5-amino-2-chloroanilino)-2-oxoethyl]-ethylamino]acetamide
CID 103101383
N-(4-amino-2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 28995288
N-(4-amino-2-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)acetamide
CID 18070547

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-amino-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-methylacetamide?
The IUPAC name of 2-[[2-(4-amino-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-methylacetamide (CID 43574894) is 2-[[2-(4-amino-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-(4-amino-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[[2-(4-amino-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-methylacetamide is CCN(CC(=O)NC)CC(=O)Nc1ccc(N)cc1OC.
What is the InChIKey of 2-[[2-(4-amino-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-methylacetamide?
The InChIKey is GUCJRRZWMUSNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-4-18(8-13(19)16-2)9-14(20)17-11-6-5-10(15)7-12(11)21-3/h5-7H,4,8-9,15H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of 2-[[2-(4-amino-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-methylacetamide?
2-[[2-(4-amino-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-methylacetamide has a molecular weight of 294.36 g/mol, XLogP of 0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-amino-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-methylacetamide is sourced from PubChem (CID 43574894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).