2-amino-3,4,5-trimethoxy-N-[(4-methylphenyl)methyl]benzamide

C18H22N2O4 — CID 110181256

IUPAC2-amino-3,4,5-trimethoxy-N-[(4-methylphenyl)methyl]benzamide
SMILESCOc1cc(C(=O)NCc2ccc(C)cc2)c(N)c(OC)c1OC
InChIInChI=1S/C18H22N2O4/c1-11-5-7-12(8-6-11)10-20-18(21)13-9-14(22-2)16(23-3)17(24-4)15(13)19/h5-9H,10,19H2,1-4H3,(H,20,21)
InChIKeyVVZDVNAGGZXQHY-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.53
Rot. Bonds6

About 2-amino-3,4,5-trimethoxy-N-[(4-methylphenyl)methyl]benzamide

2-amino-3,4,5-trimethoxy-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 110181256) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-amino-3,4,5-trimethoxy-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-3,4,5-trimethoxy-N-[(4-methylphenyl)methyl]benzamide
PubChem CID110181256
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name2-amino-3,4,5-trimethoxy-N-[(4-methylphenyl)methyl]benzamide
SMILESCOc1cc(C(=O)NCc2ccc(C)cc2)c(N)c(OC)c1OC
InChIInChI=1S/C18H22N2O4/c1-11-5-7-12(8-6-11)10-20-18(21)13-9-14(22-2)16(23-3)17(24-4)15(13)19/h5-9H,10,19H2,1-4H3,(H,20,21)
InChIKeyVVZDVNAGGZXQHY-UHFFFAOYSA-N
XLogP2.53
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,4,5-trimethoxy-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 2-amino-3,4,5-trimethoxy-N-[(4-methylphenyl)methyl]benzamide (CID 110181256) is 2-amino-3,4,5-trimethoxy-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2-amino-3,4,5-trimethoxy-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 2-amino-3,4,5-trimethoxy-N-[(4-methylphenyl)methyl]benzamide is COc1cc(C(=O)NCc2ccc(C)cc2)c(N)c(OC)c1OC.
What is the InChIKey of 2-amino-3,4,5-trimethoxy-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is VVZDVNAGGZXQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-11-5-7-12(8-6-11)10-20-18(21)13-9-14(22-2)16(23-3)17(24-4)15(13)19/h5-9H,10,19H2,1-4H3,(H,20,21).
What are the key properties of 2-amino-3,4,5-trimethoxy-N-[(4-methylphenyl)methyl]benzamide?
2-amino-3,4,5-trimethoxy-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 330.38 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,4,5-trimethoxy-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 110181256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).