2-(aminomethyl)-N,3-dimethyl-N-(2-phenoxyethyl)butanamide

C15H24N2O2 — CID 65229723

IUPAC2-(aminomethyl)-N,3-dimethyl-N-(2-phenoxyethyl)butanamide
SMILESCC(C)C(CN)C(=O)N(C)CCOc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-12(2)14(11-16)15(18)17(3)9-10-19-13-7-5-4-6-8-13/h4-8,12,14H,9-11,16H2,1-3H3
InChIKeyHIHKWPSBORLLFU-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.75
Rot. Bonds7

About 2-(aminomethyl)-N,3-dimethyl-N-(2-phenoxyethyl)butanamide

2-(aminomethyl)-N,3-dimethyl-N-(2-phenoxyethyl)butanamide (PubChem CID 65229723) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N,3-dimethyl-N-(2-phenoxyethyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N,3-dimethyl-N-(2-phenoxyethyl)butanamide
PubChem CID65229723
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(aminomethyl)-N,3-dimethyl-N-(2-phenoxyethyl)butanamide
SMILESCC(C)C(CN)C(=O)N(C)CCOc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-12(2)14(11-16)15(18)17(3)9-10-19-13-7-5-4-6-8-13/h4-8,12,14H,9-11,16H2,1-3H3
InChIKeyHIHKWPSBORLLFU-UHFFFAOYSA-N
XLogP1.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 43039188
N-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51195458
(2S)-2-amino-N,3,3-trimethyl-N-(3-phenoxypropyl)butanamide
CID 61162984
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-phenylpropanamide
CID 119695657
3-amino-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide
CID 119695394
2-(4-cyanophenoxy)-N-methyl-N-(2-phenoxyethyl)propanamide
CID 51156822
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 54869918
3-amino-2-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-N-methylpropanamide
CID 106111938
N-methyl-3-oxo-N-(2-phenoxyethyl)butanamide
CID 54876649
(2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 54995498
3-amino-N-methyl-N-(2-phenoxyethyl)pyrazine-2-carboxamide
CID 18136300
2-phenoxyethyl 3-amino-2-methylpropanoate
CID 62671141

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,3-dimethyl-N-(2-phenoxyethyl)butanamide?
The IUPAC name of 2-(aminomethyl)-N,3-dimethyl-N-(2-phenoxyethyl)butanamide (CID 65229723) is 2-(aminomethyl)-N,3-dimethyl-N-(2-phenoxyethyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-N,3-dimethyl-N-(2-phenoxyethyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-N,3-dimethyl-N-(2-phenoxyethyl)butanamide is CC(C)C(CN)C(=O)N(C)CCOc1ccccc1.
What is the InChIKey of 2-(aminomethyl)-N,3-dimethyl-N-(2-phenoxyethyl)butanamide?
The InChIKey is HIHKWPSBORLLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(2)14(11-16)15(18)17(3)9-10-19-13-7-5-4-6-8-13/h4-8,12,14H,9-11,16H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N,3-dimethyl-N-(2-phenoxyethyl)butanamide?
2-(aminomethyl)-N,3-dimethyl-N-(2-phenoxyethyl)butanamide has a molecular weight of 264.37 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,3-dimethyl-N-(2-phenoxyethyl)butanamide is sourced from PubChem (CID 65229723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).