N-[[3-(3,3-dimethylbutylamino)phenyl]methyl]-N-methylacetamide

C16H26N2O — CID 62950211

IUPACN-[[3-(3,3-dimethylbutylamino)phenyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1cccc(NCCC(C)(C)C)c1
InChIInChI=1S/C16H26N2O/c1-13(19)18(5)12-14-7-6-8-15(11-14)17-10-9-16(2,3)4/h6-8,11,17H,9-10,12H2,1-5H3
InChIKeyPQBQLJUDXFDWHJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.51
Rot. Bonds5

About N-[[3-(3,3-dimethylbutylamino)phenyl]methyl]-N-methylacetamide

N-[[3-(3,3-dimethylbutylamino)phenyl]methyl]-N-methylacetamide (PubChem CID 62950211) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[3-(3,3-dimethylbutylamino)phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[3-(3,3-dimethylbutylamino)phenyl]methyl]-N-methylacetamide
PubChem CID62950211
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[3-(3,3-dimethylbutylamino)phenyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1cccc(NCCC(C)(C)C)c1
InChIInChI=1S/C16H26N2O/c1-13(19)18(5)12-14-7-6-8-15(11-14)17-10-9-16(2,3)4/h6-8,11,17H,9-10,12H2,1-5H3
InChIKeyPQBQLJUDXFDWHJ-UHFFFAOYSA-N
XLogP3.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(2-fluorophenyl)methylamino]phenyl]methyl]-N-methylacetamide
CID 43433505
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-bromopropanamide
CID 113385188
N-methyl-N-[[3-(3-methylbutan-2-ylamino)phenyl]methyl]acetamide
CID 43724408
N-[[3-[(5-iodofuran-2-yl)methylamino]phenyl]methyl]-N-methylacetamide
CID 43786918
N-[[3-[[(2S)-2-hydroxy-2-methylbutyl]carbamoylamino]phenyl]methyl]-N-methylacetamide
CID 95168016
N-methyl-N-[[3-(pyrazin-2-ylmethylamino)phenyl]methyl]acetamide
CID 62762354
N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methylamino]phenyl]methyl]acetamide
CID 62659590
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
N-methyl-N-[[3-[(3-methylcyclobutyl)amino]phenyl]methyl]acetamide
CID 104860066
tert-butyl N-[[3-(ethylamino)phenyl]methyl]-N-methylcarbamate
CID 107243019
N-[(3-aminophenyl)methyl]-N-methylacetamide
CID 28819680
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-aminobutanamide
CID 54924609

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,3-dimethylbutylamino)phenyl]methyl]-N-methylacetamide?
The IUPAC name of N-[[3-(3,3-dimethylbutylamino)phenyl]methyl]-N-methylacetamide (CID 62950211) is N-[[3-(3,3-dimethylbutylamino)phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[3-(3,3-dimethylbutylamino)phenyl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[3-(3,3-dimethylbutylamino)phenyl]methyl]-N-methylacetamide is CC(=O)N(C)Cc1cccc(NCCC(C)(C)C)c1.
What is the InChIKey of N-[[3-(3,3-dimethylbutylamino)phenyl]methyl]-N-methylacetamide?
The InChIKey is PQBQLJUDXFDWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(19)18(5)12-14-7-6-8-15(11-14)17-10-9-16(2,3)4/h6-8,11,17H,9-10,12H2,1-5H3.
What are the key properties of N-[[3-(3,3-dimethylbutylamino)phenyl]methyl]-N-methylacetamide?
N-[[3-(3,3-dimethylbutylamino)phenyl]methyl]-N-methylacetamide has a molecular weight of 262.40 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,3-dimethylbutylamino)phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 62950211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).