2-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,3,3-trimethylbutanamide

C16H26N2O2 — CID 76896843

IUPAC2-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,3,3-trimethylbutanamide
SMILESCOc1ccc(C)cc1CN(C)C(=O)C(N)C(C)(C)C
InChIInChI=1S/C16H26N2O2/c1-11-7-8-13(20-6)12(9-11)10-18(5)15(19)14(17)16(2,3)4/h7-9,14H,10,17H2,1-6H3
InChIKeyOCKMMDMDQNJFDJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.34
Rot. Bonds4

About 2-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,3,3-trimethylbutanamide

2-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,3,3-trimethylbutanamide (PubChem CID 76896843) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,3,3-trimethylbutanamide
PubChem CID76896843
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,3,3-trimethylbutanamide
SMILESCOc1ccc(C)cc1CN(C)C(=O)C(N)C(C)(C)C
InChIInChI=1S/C16H26N2O2/c1-11-7-8-13(20-6)12(9-11)10-18(5)15(19)14(17)16(2,3)4/h7-9,14H,10,17H2,1-6H3
InChIKeyOCKMMDMDQNJFDJ-UHFFFAOYSA-N
XLogP2.34
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 76894868
(2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 61157066
N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 60666350
3-amino-1-(2-methoxy-5-methylphenyl)-4,4-dimethylpentan-2-one
CID 116611554
3-amino-4-[(2-methoxy-5-methylphenyl)methyl-methylamino]-4-oxobutanoic acid
CID 64896727
2-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpropanamide
CID 107903015
2-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 115287016
(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
CID 115170937
(2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929356
(2S)-2-amino-N,3,3-trimethyl-N-[(4-methylphenyl)methyl]butanamide;hydrochloride
CID 119681885
3-(aminomethyl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpentanamide
CID 81087805
1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 78927372

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,3,3-trimethylbutanamide?
The IUPAC name of 2-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,3,3-trimethylbutanamide (CID 76896843) is 2-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,3,3-trimethylbutanamide.
What is the SMILES notation for 2-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,3,3-trimethylbutanamide?
The canonical SMILES for 2-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,3,3-trimethylbutanamide is COc1ccc(C)cc1CN(C)C(=O)C(N)C(C)(C)C.
What is the InChIKey of 2-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,3,3-trimethylbutanamide?
The InChIKey is OCKMMDMDQNJFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11-7-8-13(20-6)12(9-11)10-18(5)15(19)14(17)16(2,3)4/h7-9,14H,10,17H2,1-6H3.
What are the key properties of 2-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,3,3-trimethylbutanamide?
2-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,3,3-trimethylbutanamide has a molecular weight of 278.40 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,3,3-trimethylbutanamide is sourced from PubChem (CID 76896843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).