(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide

C15H24N2O2 — CID 103929069

IUPAC(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
SMILESCOc1cccc(CN(C)C(=O)[C@H](N)C(C)(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-15(2,3)13(16)14(18)17(4)10-11-7-6-8-12(9-11)19-5/h6-9,13H,10,16H2,1-5H3/t13-/m0/s1
InChIKeyAVOYLSHBSYFNFW-ZDUSSCGKSA-N
MW264.37 g/mol
LogP2.03
Rot. Bonds4

About (2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide

(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide (PubChem CID 103929069) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
PubChem CID103929069
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
SMILESCOc1cccc(CN(C)C(=O)[C@H](N)C(C)(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-15(2,3)13(16)14(18)17(4)10-11-7-6-8-12(9-11)19-5/h6-9,13H,10,16H2,1-5H3/t13-/m0/s1
InChIKeyAVOYLSHBSYFNFW-ZDUSSCGKSA-N
XLogP2.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(3-methoxyphenyl)methyl]-N-methylbutanamide
CID 54869166
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide
CID 93367197
(2S)-2-amino-N-benzyl-N,3,3-trimethylbutanamide
CID 61148158
2-amino-N-benzyl-N,3,3-trimethylbutanamide
CID 76891956
(2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929356
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
1-N-[(3-methoxyphenyl)methyl]-1-N,4,4-trimethylpentane-1,3-diamine
CID 55098188
2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,2-dimethylbutanamide
CID 114290441
(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929088
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
(2S)-2-amino-N'-[(3-methoxyphenyl)methyl]-N'-methylpentanediamide
CID 58987433
2-amino-N-[(4-ethoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 76895070

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide (CID 103929069) is (2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide is COc1cccc(CN(C)C(=O)[C@H](N)C(C)(C)C)c1.
What is the InChIKey of (2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide?
The InChIKey is AVOYLSHBSYFNFW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2,3)13(16)14(18)17(4)10-11-7-6-8-12(9-11)19-5/h6-9,13H,10,16H2,1-5H3/t13-/m0/s1.
What are the key properties of (2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide?
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide is sourced from PubChem (CID 103929069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).