2-[N-ethyl-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide

C16H27N3O — CID 63070317

IUPAC2-[N-ethyl-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1ccccc1CNCC(C)C
InChIInChI=1S/C16H27N3O/c1-5-19(12-16(20)17-4)15-9-7-6-8-14(15)11-18-10-13(2)3/h6-9,13,18H,5,10-12H2,1-4H3,(H,17,20)
InChIKeySKCCWJYUSXAIAI-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.00
Rot. Bonds8

About 2-[N-ethyl-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide

2-[N-ethyl-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide (PubChem CID 63070317) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[N-ethyl-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide.

Molecular Properties

Compound Name2-[N-ethyl-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide
PubChem CID63070317
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[N-ethyl-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1ccccc1CNCC(C)C
InChIInChI=1S/C16H27N3O/c1-5-19(12-16(20)17-4)15-9-7-6-8-14(15)11-18-10-13(2)3/h6-9,13,18H,5,10-12H2,1-4H3,(H,17,20)
InChIKeySKCCWJYUSXAIAI-UHFFFAOYSA-N
XLogP2.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[N-methyl-2-[(2-methylpropylamino)methyl]anilino]acetamide
CID 63059313
2-[N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide
CID 63059377
N-ethyl-N-(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline
CID 63551148
N-ethyl-N-(2-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline
CID 79481296
2-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide
CID 63371338
2-[N-ethyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide
CID 54985902
N,N-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline
CID 63552275
N,N-dimethyl-2-[(2-methylpropylamino)methyl]aniline
CID 63058925
N-methyl-2-[2-methyl-N-[(2-methylphenyl)methyl]anilino]acetamide
CID 47092405
N,N-diethyl-2-(methylaminomethyl)aniline
CID 43243693
3-[2-(ethylaminomethyl)-N-methylanilino]-N-methylpropanamide
CID 106916760
2-[2-(hydroxymethyl)-N-methylanilino]-N-methylacetamide
CID 43375132

Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide?
The IUPAC name of 2-[N-ethyl-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide (CID 63070317) is 2-[N-ethyl-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide.
What is the SMILES notation for 2-[N-ethyl-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide?
The canonical SMILES for 2-[N-ethyl-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide is CCN(CC(=O)NC)c1ccccc1CNCC(C)C.
What is the InChIKey of 2-[N-ethyl-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide?
The InChIKey is SKCCWJYUSXAIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-19(12-16(20)17-4)15-9-7-6-8-14(15)11-18-10-13(2)3/h6-9,13,18H,5,10-12H2,1-4H3,(H,17,20).
What are the key properties of 2-[N-ethyl-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide?
2-[N-ethyl-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide has a molecular weight of 277.41 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide is sourced from PubChem (CID 63070317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).