4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]butanamide

C14H22N2O4 — CID 119285338

IUPAC4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]butanamide
SMILESCOc1ccc(CNC(=O)CCCN)c(OC)c1OC
InChIInChI=1S/C14H22N2O4/c1-18-11-7-6-10(13(19-2)14(11)20-3)9-16-12(17)5-4-8-15/h6-7H,4-5,8-9,15H2,1-3H3,(H,16,17)
InChIKeyXTZAOZQGFAXAQY-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.07
Rot. Bonds8

About 4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]butanamide

4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]butanamide (PubChem CID 119285338) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]butanamide
PubChem CID119285338
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]butanamide
SMILESCOc1ccc(CNC(=O)CCCN)c(OC)c1OC
InChIInChI=1S/C14H22N2O4/c1-18-11-7-6-10(13(19-2)14(11)20-3)9-16-12(17)5-4-8-15/h6-7H,4-5,8-9,15H2,1-3H3,(H,16,17)
InChIKeyXTZAOZQGFAXAQY-UHFFFAOYSA-N
XLogP1.07
TPSA82.81 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 ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]pentanamide;hydrochloride
CID 120560098
N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 18425632
3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 46587581
4-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]butanamide
CID 119316746
7-amino-N-[(4-chloro-2-methoxyphenyl)methyl]heptanamide
CID 119779149
N'-[(2,3,4-trimethoxyphenyl)methyl]butane-1,4-diamine
CID 60895231
2,2,2-trichloro-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 67538566
5-[(2,3,4-trimethoxyphenyl)methylamino]pentanamide
CID 106234716
4-amino-N-[(3-chloro-4-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119337512
3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide
CID 43553337
N-benzyl-3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide
CID 51129427
N-(3-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 119997065

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]butanamide?
The IUPAC name of 4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]butanamide (CID 119285338) is 4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]butanamide.
What is the SMILES notation for 4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]butanamide?
The canonical SMILES for 4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]butanamide is COc1ccc(CNC(=O)CCCN)c(OC)c1OC.
What is the InChIKey of 4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]butanamide?
The InChIKey is XTZAOZQGFAXAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-18-11-7-6-10(13(19-2)14(11)20-3)9-16-12(17)5-4-8-15/h6-7H,4-5,8-9,15H2,1-3H3,(H,16,17).
What are the key properties of 4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]butanamide?
4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]butanamide has a molecular weight of 282.34 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]butanamide is sourced from PubChem (CID 119285338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).