N-(4-aminophenyl)-2-[ethyl(propan-2-yl)amino]-N-methylacetamide

C14H23N3O — CID 43375898

IUPACN-(4-aminophenyl)-2-[ethyl(propan-2-yl)amino]-N-methylacetamide
SMILESCCN(CC(=O)N(C)c1ccc(N)cc1)C(C)C
InChIInChI=1S/C14H23N3O/c1-5-17(11(2)3)10-14(18)16(4)13-8-6-12(15)7-9-13/h6-9,11H,5,10,15H2,1-4H3
InChIKeyIXBXLPCQZHGQJW-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.96
Rot. Bonds5

About N-(4-aminophenyl)-2-[ethyl(propan-2-yl)amino]-N-methylacetamide

N-(4-aminophenyl)-2-[ethyl(propan-2-yl)amino]-N-methylacetamide (PubChem CID 43375898) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-[ethyl(propan-2-yl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-[ethyl(propan-2-yl)amino]-N-methylacetamide
PubChem CID43375898
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(4-aminophenyl)-2-[ethyl(propan-2-yl)amino]-N-methylacetamide
SMILESCCN(CC(=O)N(C)c1ccc(N)cc1)C(C)C
InChIInChI=1S/C14H23N3O/c1-5-17(11(2)3)10-14(18)16(4)13-8-6-12(15)7-9-13/h6-9,11H,5,10,15H2,1-4H3
InChIKeyIXBXLPCQZHGQJW-UHFFFAOYSA-N
XLogP1.96
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-N-methyl-2-[propan-2-yl(propyl)amino]acetamide
CID 43375942
N-(4-aminophenyl)-2-[methoxy(methyl)amino]-N-methylacetamide
CID 43627611
N-(4-aminophenyl)-2-[ethyl(2-methoxyethyl)amino]-N-methylacetamide
CID 61444480
N-(4-aminophenyl)-N,2-dimethylbutanamide
CID 43114423
N-(4-aminophenyl)-N-methyl-2-propan-2-ylsulfinylacetamide
CID 61289454
3-[[2-(4-amino-N-methylanilino)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
CID 106914693
N-(4-aminophenyl)-2-[cyclohexyl(ethyl)amino]-N-methylacetamide
CID 43375625
N-(4-aminophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide
CID 79383876
N-(4-aminophenyl)-2-[3-(dimethylamino)propyl-methylamino]-N-methylacetamide
CID 63693206
N-(4-aminophenyl)-N-methyl-2-pentan-2-yloxyacetamide
CID 102980773
N-(4-aminophenyl)-3-(dimethylamino)-N-methylpropanamide
CID 23506938
2-[ethyl(propan-2-yl)amino]-N-methyl-N-propan-2-ylacetamide
CID 176579290

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-[ethyl(propan-2-yl)amino]-N-methylacetamide?
The IUPAC name of N-(4-aminophenyl)-2-[ethyl(propan-2-yl)amino]-N-methylacetamide (CID 43375898) is N-(4-aminophenyl)-2-[ethyl(propan-2-yl)amino]-N-methylacetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-[ethyl(propan-2-yl)amino]-N-methylacetamide?
The canonical SMILES for N-(4-aminophenyl)-2-[ethyl(propan-2-yl)amino]-N-methylacetamide is CCN(CC(=O)N(C)c1ccc(N)cc1)C(C)C.
What is the InChIKey of N-(4-aminophenyl)-2-[ethyl(propan-2-yl)amino]-N-methylacetamide?
The InChIKey is IXBXLPCQZHGQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-17(11(2)3)10-14(18)16(4)13-8-6-12(15)7-9-13/h6-9,11H,5,10,15H2,1-4H3.
What are the key properties of N-(4-aminophenyl)-2-[ethyl(propan-2-yl)amino]-N-methylacetamide?
N-(4-aminophenyl)-2-[ethyl(propan-2-yl)amino]-N-methylacetamide has a molecular weight of 249.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-[ethyl(propan-2-yl)amino]-N-methylacetamide is sourced from PubChem (CID 43375898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).