5-amino-5-(2,4,6-trimethoxyphenyl)pentanamide

C14H22N2O4 — CID 60860649

IUPAC5-amino-5-(2,4,6-trimethoxyphenyl)pentanamide
SMILESCOc1cc(OC)c(C(N)CCCC(N)=O)c(OC)c1
InChIInChI=1S/C14H22N2O4/c1-18-9-7-11(19-2)14(12(8-9)20-3)10(15)5-4-6-13(16)17/h7-8,10H,4-6,15H2,1-3H3,(H2,16,17)
InChIKeyYBKWROMGQIMDOL-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.37
Rot. Bonds8

About 5-amino-5-(2,4,6-trimethoxyphenyl)pentanamide

5-amino-5-(2,4,6-trimethoxyphenyl)pentanamide (PubChem CID 60860649) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-amino-5-(2,4,6-trimethoxyphenyl)pentanamide.

Molecular Properties

Compound Name5-amino-5-(2,4,6-trimethoxyphenyl)pentanamide
PubChem CID60860649
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name5-amino-5-(2,4,6-trimethoxyphenyl)pentanamide
SMILESCOc1cc(OC)c(C(N)CCCC(N)=O)c(OC)c1
InChIInChI=1S/C14H22N2O4/c1-18-9-7-11(19-2)14(12(8-9)20-3)10(15)5-4-6-13(16)17/h7-8,10H,4-6,15H2,1-3H3,(H2,16,17)
InChIKeyYBKWROMGQIMDOL-UHFFFAOYSA-N
XLogP1.37
TPSA96.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-4-amino-4-(2,4,6-trimethoxyphenyl)butanoic acid
CID 28744319
(4R)-4-amino-4-(2,4,6-trimethoxyphenyl)butanoic acid
CID 28744321
(4R)-4-amino-4-(2,4,6-trimethoxyphenyl)butan-1-ol
CID 171201068
(1R)-1-(2,4,6-trimethoxyphenyl)pentan-1-amine;hydrochloride
CID 171201038
(1R)-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171201026
(1R)-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride
CID 171201035
5-amino-5-(2,4-dimethoxy-6-methylphenyl)pentan-2-one
CID 116940763
methyl (3R)-3-amino-3-(2,4,6-trimethoxyphenyl)propanoate;hydrochloride
CID 171246661
(1S)-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201024
2-hydroxy-2-(2,4,6-trimethoxyphenyl)acetamide
CID 62225648
2-[(1S)-1-amino-4-hydroxybutyl]-3,5-dimethoxyphenol;hydrochloride
CID 171226703
5-amino-5-(2-methoxy-5-methylphenyl)pentanamide
CID 54927575

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(2,4,6-trimethoxyphenyl)pentanamide?
The IUPAC name of 5-amino-5-(2,4,6-trimethoxyphenyl)pentanamide (CID 60860649) is 5-amino-5-(2,4,6-trimethoxyphenyl)pentanamide.
What is the SMILES notation for 5-amino-5-(2,4,6-trimethoxyphenyl)pentanamide?
The canonical SMILES for 5-amino-5-(2,4,6-trimethoxyphenyl)pentanamide is COc1cc(OC)c(C(N)CCCC(N)=O)c(OC)c1.
What is the InChIKey of 5-amino-5-(2,4,6-trimethoxyphenyl)pentanamide?
The InChIKey is YBKWROMGQIMDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-18-9-7-11(19-2)14(12(8-9)20-3)10(15)5-4-6-13(16)17/h7-8,10H,4-6,15H2,1-3H3,(H2,16,17).
What are the key properties of 5-amino-5-(2,4,6-trimethoxyphenyl)pentanamide?
5-amino-5-(2,4,6-trimethoxyphenyl)pentanamide has a molecular weight of 282.34 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(2,4,6-trimethoxyphenyl)pentanamide is sourced from PubChem (CID 60860649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).