2-[4-[(tert-butylamino)methyl]-N-ethylanilino]acetamide

C15H25N3O — CID 103103191

IUPAC2-[4-[(tert-butylamino)methyl]-N-ethylanilino]acetamide
SMILESCCN(CC(N)=O)c1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C15H25N3O/c1-5-18(11-14(16)19)13-8-6-12(7-9-13)10-17-15(2,3)4/h6-9,17H,5,10-11H2,1-4H3,(H2,16,19)
InChIKeyKTBCCXKZOQVRMR-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.89
Rot. Bonds6

About 2-[4-[(tert-butylamino)methyl]-N-ethylanilino]acetamide

2-[4-[(tert-butylamino)methyl]-N-ethylanilino]acetamide (PubChem CID 103103191) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[4-[(tert-butylamino)methyl]-N-ethylanilino]acetamide.

Molecular Properties

Compound Name2-[4-[(tert-butylamino)methyl]-N-ethylanilino]acetamide
PubChem CID103103191
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[4-[(tert-butylamino)methyl]-N-ethylanilino]acetamide
SMILESCCN(CC(N)=O)c1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C15H25N3O/c1-5-18(11-14(16)19)13-8-6-12(7-9-13)10-17-15(2,3)4/h6-9,17H,5,10-11H2,1-4H3,(H2,16,19)
InChIKeyKTBCCXKZOQVRMR-UHFFFAOYSA-N
XLogP1.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.89
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

4-[(tert-butylamino)methyl]-N,N-diethylaniline
CID 4719207
2-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-ethylamino]acetamide
CID 103103176
2-[4-(aminomethyl)-N-ethylanilino]acetamide
CID 43275827
4-[(tert-butylamino)methyl]-N-ethyl-N-propylaniline
CID 55147217
2-[butyl-[5-[(tert-butylamino)methyl]-2-pyridinyl]amino]acetamide
CID 80636665
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
2-[N-(2-amino-2-oxoethyl)-2-[(tert-butylamino)methyl]anilino]acetamide
CID 63072276
2-[ethyl-[5-(methylaminomethyl)-2-pyridinyl]amino]acetamide
CID 103103171
2-(4-amino-N-ethyl-3-methylanilino)acetamide
CID 54103671
2-(4-amino-N-ethylanilino)-N-tert-butylacetamide
CID 63233665
4-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)aniline
CID 63060085
4-[(tert-butylamino)methyl]-N-ethyl-N-propan-2-ylaniline
CID 63059473

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(tert-butylamino)methyl]-N-ethylanilino]acetamide?
The IUPAC name of 2-[4-[(tert-butylamino)methyl]-N-ethylanilino]acetamide (CID 103103191) is 2-[4-[(tert-butylamino)methyl]-N-ethylanilino]acetamide.
What is the SMILES notation for 2-[4-[(tert-butylamino)methyl]-N-ethylanilino]acetamide?
The canonical SMILES for 2-[4-[(tert-butylamino)methyl]-N-ethylanilino]acetamide is CCN(CC(N)=O)c1ccc(CNC(C)(C)C)cc1.
What is the InChIKey of 2-[4-[(tert-butylamino)methyl]-N-ethylanilino]acetamide?
The InChIKey is KTBCCXKZOQVRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-18(11-14(16)19)13-8-6-12(7-9-13)10-17-15(2,3)4/h6-9,17H,5,10-11H2,1-4H3,(H2,16,19).
What are the key properties of 2-[4-[(tert-butylamino)methyl]-N-ethylanilino]acetamide?
2-[4-[(tert-butylamino)methyl]-N-ethylanilino]acetamide has a molecular weight of 263.38 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(tert-butylamino)methyl]-N-ethylanilino]acetamide is sourced from PubChem (CID 103103191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).