N-[4-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylacetamide

C16H26N2O2 — CID 115949136

IUPACN-[4-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)COC(C)(C)C)c1ccc(CN)cc1
InChIInChI=1S/C16H26N2O2/c1-12(2)18(15(19)11-20-16(3,4)5)14-8-6-13(10-17)7-9-14/h6-9,12H,10-11,17H2,1-5H3
InChIKeyIVOPAKFNDLZKHV-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.70
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylacetamide

N-[4-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylacetamide (PubChem CID 115949136) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylacetamide
PubChem CID115949136
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[4-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)COC(C)(C)C)c1ccc(CN)cc1
InChIInChI=1S/C16H26N2O2/c1-12(2)18(15(19)11-20-16(3,4)5)14-8-6-13(10-17)7-9-14/h6-9,12H,10-11,17H2,1-5H3
InChIKeyIVOPAKFNDLZKHV-UHFFFAOYSA-N
XLogP2.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-2,2-dimethyl-N-propan-2-ylpropanamide
CID 43275967
N-[4-(aminomethyl)phenyl]-N-propan-2-ylacetamide
CID 43275962
N-[4-(aminomethyl)phenyl]-2-phenyl-N-propan-2-ylacetamide
CID 43275980
1-[4-(aminomethyl)phenyl]-1,3-di(propan-2-yl)urea
CID 43276091
N-[4-(aminomethyl)phenyl]-2-cyclopropyl-N-propan-2-ylpropanamide
CID 83146456
[2-(4-fluoro-N-propan-2-ylanilino)-2-oxoethyl] acetate
CID 10220637
N-[4-(aminomethyl)phenyl]-N-propan-2-ylmorpholine-4-carboxamide
CID 79155841
N-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-carboxamide
CID 62907547
N-[4-(aminomethyl)phenyl]-N-propan-2-ylpyridine-3-carboxamide
CID 43276007
N-[4-(aminomethyl)phenyl]-5-methyl-N-propan-2-ylfuran-3-carboxamide
CID 114818480
N-[4-(aminomethyl)phenyl]-2-methylpropanehydrazide
CID 174490101
N-[4-(aminomethyl)phenyl]-3-methyl-N-propan-2-ylimidazole-4-carboxamide
CID 103510202

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylacetamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylacetamide (CID 115949136) is N-[4-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylacetamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylacetamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylacetamide is CC(C)N(C(=O)COC(C)(C)C)c1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylacetamide?
The InChIKey is IVOPAKFNDLZKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)18(15(19)11-20-16(3,4)5)14-8-6-13(10-17)7-9-14/h6-9,12H,10-11,17H2,1-5H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylacetamide?
N-[4-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylacetamide has a molecular weight of 278.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 115949136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).