5-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,4-dimethylpentanamide

C16H26N2O2 — CID 82011236

IUPAC5-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,4-dimethylpentanamide
SMILESCOc1ccc(C)cc1CN(C)C(=O)CCC(C)CN
InChIInChI=1S/C16H26N2O2/c1-12-5-7-15(20-4)14(9-12)11-18(3)16(19)8-6-13(2)10-17/h5,7,9,13H,6,8,10-11,17H2,1-4H3
InChIKeyOGKWLKPUQMLAAR-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.34
Rot. Bonds7

About 5-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,4-dimethylpentanamide

5-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,4-dimethylpentanamide (PubChem CID 82011236) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name5-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,4-dimethylpentanamide
PubChem CID82011236
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name5-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,4-dimethylpentanamide
SMILESCOc1ccc(C)cc1CN(C)C(=O)CCC(C)CN
InChIInChI=1S/C16H26N2O2/c1-12-5-7-15(20-4)14(9-12)11-18(3)16(19)8-6-13(2)10-17/h5,7,9,13H,6,8,10-11,17H2,1-4H3
InChIKeyOGKWLKPUQMLAAR-UHFFFAOYSA-N
XLogP2.34
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

3-(aminomethyl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpentanamide
CID 81087805
N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 60666350
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 9469734
5-amino-N-[(4-methoxyphenyl)methyl]-N,4-dimethylpentanamide
CID 82012231
(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
CID 115170937
2-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpropanamide
CID 107903015
2-(butan-2-ylamino)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide
CID 61258818
4-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylbutanamide
CID 115155476
3-amino-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 39355922
3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94687738
2-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,3,3-trimethylbutanamide
CID 76896843
4-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpentanamide;hydrochloride
CID 120559279

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,4-dimethylpentanamide?
The IUPAC name of 5-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,4-dimethylpentanamide (CID 82011236) is 5-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,4-dimethylpentanamide.
What is the SMILES notation for 5-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,4-dimethylpentanamide?
The canonical SMILES for 5-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,4-dimethylpentanamide is COc1ccc(C)cc1CN(C)C(=O)CCC(C)CN.
What is the InChIKey of 5-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,4-dimethylpentanamide?
The InChIKey is OGKWLKPUQMLAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12-5-7-15(20-4)14(9-12)11-18(3)16(19)8-6-13(2)10-17/h5,7,9,13H,6,8,10-11,17H2,1-4H3.
What are the key properties of 5-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,4-dimethylpentanamide?
5-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,4-dimethylpentanamide has a molecular weight of 278.40 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,4-dimethylpentanamide is sourced from PubChem (CID 82011236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).