2-[N-ethyl-2-methyl-4-(propylaminomethyl)anilino]-N,N-dimethylacetamide

C17H29N3O — CID 62120859

IUPAC2-[N-ethyl-2-methyl-4-(propylaminomethyl)anilino]-N,N-dimethylacetamide
SMILESCCCNCc1ccc(N(CC)CC(=O)N(C)C)c(C)c1
InChIInChI=1S/C17H29N3O/c1-6-10-18-12-15-8-9-16(14(3)11-15)20(7-2)13-17(21)19(4)5/h8-9,11,18H,6-7,10,12-13H2,1-5H3
InChIKeySCKOURZFEKMNIW-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.41
Rot. Bonds8

About 2-[N-ethyl-2-methyl-4-(propylaminomethyl)anilino]-N,N-dimethylacetamide

2-[N-ethyl-2-methyl-4-(propylaminomethyl)anilino]-N,N-dimethylacetamide (PubChem CID 62120859) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[N-ethyl-2-methyl-4-(propylaminomethyl)anilino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[N-ethyl-2-methyl-4-(propylaminomethyl)anilino]-N,N-dimethylacetamide
PubChem CID62120859
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[N-ethyl-2-methyl-4-(propylaminomethyl)anilino]-N,N-dimethylacetamide
SMILESCCCNCc1ccc(N(CC)CC(=O)N(C)C)c(C)c1
InChIInChI=1S/C17H29N3O/c1-6-10-18-12-15-8-9-16(14(3)11-15)20(7-2)13-17(21)19(4)5/h8-9,11,18H,6-7,10,12-13H2,1-5H3
InChIKeySCKOURZFEKMNIW-UHFFFAOYSA-N
XLogP2.41
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[N-ethyl-2-methyl-4-(methylaminomethyl)anilino]-N,N-dimethylacetamide
CID 62120856
N-ethyl-N,2-dimethyl-4-(propylaminomethyl)aniline
CID 62119969
N,2-dimethyl-N-(3-methylbutan-2-yl)-4-(propylaminomethyl)aniline
CID 55040116
N,N-diethyl-2-[4-(ethylaminomethyl)-N,2-dimethylanilino]acetamide
CID 62124186
N-(3,3-dimethylbutan-2-yl)-N,2-dimethyl-4-(propylaminomethyl)aniline
CID 63550642
N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methyl-N-propylaniline
CID 63060006
N,N-dimethyl-2-[propyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80632298
2-[4-[(tert-butylamino)methyl]-N-ethyl-2-methylanilino]-N-methylacetamide
CID 62120854
N,2-dimethyl-N-(oxan-4-ylmethyl)-4-(propylaminomethyl)aniline
CID 63711399
N-ethyl-4-(ethylaminomethyl)-2-methyl-N-(2-methylpropyl)aniline
CID 62121360
2-[2-methyl-N-propan-2-yl-4-(propylaminomethyl)anilino]ethanol
CID 62123309
N-(furan-2-ylmethyl)-N,2-dimethyl-4-(propylaminomethyl)aniline
CID 62121867

Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-2-methyl-4-(propylaminomethyl)anilino]-N,N-dimethylacetamide?
The IUPAC name of 2-[N-ethyl-2-methyl-4-(propylaminomethyl)anilino]-N,N-dimethylacetamide (CID 62120859) is 2-[N-ethyl-2-methyl-4-(propylaminomethyl)anilino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[N-ethyl-2-methyl-4-(propylaminomethyl)anilino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[N-ethyl-2-methyl-4-(propylaminomethyl)anilino]-N,N-dimethylacetamide is CCCNCc1ccc(N(CC)CC(=O)N(C)C)c(C)c1.
What is the InChIKey of 2-[N-ethyl-2-methyl-4-(propylaminomethyl)anilino]-N,N-dimethylacetamide?
The InChIKey is SCKOURZFEKMNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-6-10-18-12-15-8-9-16(14(3)11-15)20(7-2)13-17(21)19(4)5/h8-9,11,18H,6-7,10,12-13H2,1-5H3.
What are the key properties of 2-[N-ethyl-2-methyl-4-(propylaminomethyl)anilino]-N,N-dimethylacetamide?
2-[N-ethyl-2-methyl-4-(propylaminomethyl)anilino]-N,N-dimethylacetamide has a molecular weight of 291.44 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-2-methyl-4-(propylaminomethyl)anilino]-N,N-dimethylacetamide is sourced from PubChem (CID 62120859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).