2-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]-2-methylbutanamide

C15H24N2O2 — CID 114290803

IUPAC2-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]-2-methylbutanamide
SMILESCCC(C)(CN)C(=O)NC(C)c1ccc(OC)cc1
InChIInChI=1S/C15H24N2O2/c1-5-15(3,10-16)14(18)17-11(2)12-6-8-13(19-4)9-7-12/h6-9,11H,5,10,16H2,1-4H3,(H,17,18)
InChIKeyKDLHHTQWTOBIJT-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.25
Rot. Bonds6

About 2-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]-2-methylbutanamide

2-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]-2-methylbutanamide (PubChem CID 114290803) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]-2-methylbutanamide
PubChem CID114290803
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]-2-methylbutanamide
SMILESCCC(C)(CN)C(=O)NC(C)c1ccc(OC)cc1
InChIInChI=1S/C15H24N2O2/c1-5-15(3,10-16)14(18)17-11(2)12-6-8-13(19-4)9-7-12/h6-9,11H,5,10,16H2,1-4H3,(H,17,18)
InChIKeyKDLHHTQWTOBIJT-UHFFFAOYSA-N
XLogP2.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 115426893
N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 17330111
3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide
CID 81363369
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81364080
3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropanamide
CID 81363654
6-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4,4-dimethylhexanamide
CID 81368822
(2R)-2-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363875
(2S)-2-amino-N-[1-(4-methoxyphenyl)ethyl]butanamide
CID 66196419
(2R)-2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364305
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364090
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
N-[(2S)-butan-2-yl]-N'-[(1R)-1-(4-methoxyphenyl)ethyl]oxamide
CID 124605637

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]-2-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]-2-methylbutanamide (CID 114290803) is 2-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]-2-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]-2-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]-2-methylbutanamide is CCC(C)(CN)C(=O)NC(C)c1ccc(OC)cc1.
What is the InChIKey of 2-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]-2-methylbutanamide?
The InChIKey is KDLHHTQWTOBIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-15(3,10-16)14(18)17-11(2)12-6-8-13(19-4)9-7-12/h6-9,11H,5,10,16H2,1-4H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]-2-methylbutanamide?
2-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]-2-methylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]-2-methylbutanamide is sourced from PubChem (CID 114290803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).