2-[N-butyl-4-(ethylaminomethyl)-3-methylanilino]acetamide

C16H27N3O — CID 62128442

IUPAC2-[N-butyl-4-(ethylaminomethyl)-3-methylanilino]acetamide
SMILESCCCCN(CC(N)=O)c1ccc(CNCC)c(C)c1
InChIInChI=1S/C16H27N3O/c1-4-6-9-19(12-16(17)20)15-8-7-14(11-18-5-2)13(3)10-15/h7-8,10,18H,4-6,9,11-12H2,1-3H3,(H2,17,20)
InChIKeyDMSHSCQMUXFOJI-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.20
Rot. Bonds9

About 2-[N-butyl-4-(ethylaminomethyl)-3-methylanilino]acetamide

2-[N-butyl-4-(ethylaminomethyl)-3-methylanilino]acetamide (PubChem CID 62128442) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[N-butyl-4-(ethylaminomethyl)-3-methylanilino]acetamide.

Molecular Properties

Compound Name2-[N-butyl-4-(ethylaminomethyl)-3-methylanilino]acetamide
PubChem CID62128442
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[N-butyl-4-(ethylaminomethyl)-3-methylanilino]acetamide
SMILESCCCCN(CC(N)=O)c1ccc(CNCC)c(C)c1
InChIInChI=1S/C16H27N3O/c1-4-6-9-19(12-16(17)20)15-8-7-14(11-18-5-2)13(3)10-15/h7-8,10,18H,4-6,9,11-12H2,1-3H3,(H2,17,20)
InChIKeyDMSHSCQMUXFOJI-UHFFFAOYSA-N
XLogP2.20
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(ethylaminomethyl)-3-methyl-N-propylanilino]-N,N-dimethylacetamide
CID 62129619
2-[N-(2-amino-2-oxoethyl)-3-methyl-4-(methylaminomethyl)anilino]acetamide
CID 62923686
N-methyl-2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]acetamide
CID 62128436
2-(N-butyl-4-carbamothioyl-3-chloroanilino)acetamide
CID 62947297
N-butyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-3-methylaniline
CID 63058733
2-(4-fluoro-N-pentylanilino)acetamide
CID 57125952
4-(butylaminomethyl)-N-ethyl-3-methyl-N-propylaniline
CID 145098744
2-[N-butyl-2-chloro-4-(ethylaminomethyl)anilino]acetamide
CID 81148812
2-(4-amino-N-ethyl-3-methylanilino)acetamide
CID 54103671
4-(2-aminoethyl)-N,N-dibutyl-3-methylaniline
CID 63783395
2-[N,3-dimethyl-4-(methylaminomethyl)anilino]acetamide
CID 62136541
2-(4-amino-N-butyl-2-methylanilino)acetamide
CID 55002760

Frequently Asked Questions

What is the IUPAC name of 2-[N-butyl-4-(ethylaminomethyl)-3-methylanilino]acetamide?
The IUPAC name of 2-[N-butyl-4-(ethylaminomethyl)-3-methylanilino]acetamide (CID 62128442) is 2-[N-butyl-4-(ethylaminomethyl)-3-methylanilino]acetamide.
What is the SMILES notation for 2-[N-butyl-4-(ethylaminomethyl)-3-methylanilino]acetamide?
The canonical SMILES for 2-[N-butyl-4-(ethylaminomethyl)-3-methylanilino]acetamide is CCCCN(CC(N)=O)c1ccc(CNCC)c(C)c1.
What is the InChIKey of 2-[N-butyl-4-(ethylaminomethyl)-3-methylanilino]acetamide?
The InChIKey is DMSHSCQMUXFOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-6-9-19(12-16(17)20)15-8-7-14(11-18-5-2)13(3)10-15/h7-8,10,18H,4-6,9,11-12H2,1-3H3,(H2,17,20).
What are the key properties of 2-[N-butyl-4-(ethylaminomethyl)-3-methylanilino]acetamide?
2-[N-butyl-4-(ethylaminomethyl)-3-methylanilino]acetamide has a molecular weight of 277.41 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-butyl-4-(ethylaminomethyl)-3-methylanilino]acetamide is sourced from PubChem (CID 62128442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).