4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide

C14H22N2O2 — CID 115155305

IUPAC4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide
SMILESCOc1cc(C)cc(C)c1CNC(=O)CCCN
InChIInChI=1S/C14H22N2O2/c1-10-7-11(2)12(13(8-10)18-3)9-16-14(17)5-4-6-15/h7-8H,4-6,9,15H2,1-3H3,(H,16,17)
InChIKeyOYTCYPVJPQLCRC-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.67
Rot. Bonds6

About 4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide

4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide (PubChem CID 115155305) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide
PubChem CID115155305
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide
SMILESCOc1cc(C)cc(C)c1CNC(=O)CCCN
InChIInChI=1S/C14H22N2O2/c1-10-7-11(2)12(13(8-10)18-3)9-16-14(17)5-4-6-15/h7-8H,4-6,9,15H2,1-3H3,(H,16,17)
InChIKeyOYTCYPVJPQLCRC-UHFFFAOYSA-N
XLogP1.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-[(2-methoxy-4,6-dimethylphenyl)methyl]propanamide
CID 115139063
4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]pentanamide
CID 115156719
3-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide
CID 115154214
3-amino-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119295082
4-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]butanamide
CID 119316746
4-amino-N-[(3-chloro-4-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119337512
2-amino-N-[(2,4,6-trimethylphenyl)methyl]acetamide
CID 82126466
methyl 4-(2-methoxy-4,6-dimethylphenyl)butanoate
CID 98784006
4-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide;hydrochloride
CID 119320840
3-hydroxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide
CID 115139004
4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]butanamide
CID 119285338
3-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]propanamide
CID 115173817

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide?
The IUPAC name of 4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide (CID 115155305) is 4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide.
What is the SMILES notation for 4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide?
The canonical SMILES for 4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide is COc1cc(C)cc(C)c1CNC(=O)CCCN.
What is the InChIKey of 4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide?
The InChIKey is OYTCYPVJPQLCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-7-11(2)12(13(8-10)18-3)9-16-14(17)5-4-6-15/h7-8H,4-6,9,15H2,1-3H3,(H,16,17).
What are the key properties of 4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide?
4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide has a molecular weight of 250.34 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide is sourced from PubChem (CID 115155305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).