2-[amino(tridecanoyl)amino]-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide

C30H45N3O5 — CID 67723815

IUPAC2-[amino(tridecanoyl)amino]-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide
SMILESCCCCCCCCCCCCC(=O)N(N)C(C(=O)Nc1c(OC)cc(OC)cc1OC)c1ccccc1
InChIInChI=1S/C30H45N3O5/c1-5-6-7-8-9-10-11-12-13-17-20-27(34)33(31)29(23-18-15-14-16-19-23)30(35)32-28-25(37-3)21-24(36-2)22-26(28)38-4/h14-16,18-19,21-22,29H,5-13,17,20,31H2,1-4H3,(H,32,35)
InChIKeyQDMRUSNWABBFJF-UHFFFAOYSA-N
MW527.71 g/mol
LogP6.41
Rot. Bonds18

About 2-[amino(tridecanoyl)amino]-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide

2-[amino(tridecanoyl)amino]-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide (PubChem CID 67723815) has the molecular formula C30H45N3O5 and a molecular weight of 527.71 g/mol. Its IUPAC name is 2-[amino(tridecanoyl)amino]-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[amino(tridecanoyl)amino]-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide
PubChem CID67723815
Molecular FormulaC30H45N3O5
Molecular Weight527.71 g/mol
Exact Mass527.34
IUPAC Name2-[amino(tridecanoyl)amino]-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide
SMILESCCCCCCCCCCCCC(=O)N(N)C(C(=O)Nc1c(OC)cc(OC)cc1OC)c1ccccc1
InChIInChI=1S/C30H45N3O5/c1-5-6-7-8-9-10-11-12-13-17-20-27(34)33(31)29(23-18-15-14-16-19-23)30(35)32-28-25(37-3)21-24(36-2)22-26(28)38-4/h14-16,18-19,21-22,29H,5-13,17,20,31H2,1-4H3,(H,32,35)
InChIKeyQDMRUSNWABBFJF-UHFFFAOYSA-N
XLogP6.41
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.71
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide
CID 70116195
2-(5-dodecyl-2H-1,2,4-oxadiazin-3-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide
CID 70126186
(E)-N-(2,4,6-trimethoxyphenyl)icos-11-enamide
CID 67862538
(Z)-N-(2,4,6-trimethoxyphenyl)octadec-9-enamide
CID 14157095
(3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide
CID 10546372
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N,2-diphenylacetamide
CID 55471442
2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)octadecanamide
CID 14276081
2-(4-tert-butylphenyl)sulfanyl-N-(2,4,6-trimethoxyphenyl)octanamide
CID 14995488
2-(5-dodecyltetrazol-2-yl)-2-(2-ethylphenyl)-N-(2,4,6-trimethoxyphenyl)acetamide
CID 57152372
1-(2,4,6-trimethoxyphenyl)dodecan-1-one
CID 11617254
3-cyano-3-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide
CID 86748282
benzyl 2-[benzyl(octanoyl)amino]-2-phenylacetate
CID 135023630

Frequently Asked Questions

What is the IUPAC name of 2-[amino(tridecanoyl)amino]-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide?
The IUPAC name of 2-[amino(tridecanoyl)amino]-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide (CID 67723815) is 2-[amino(tridecanoyl)amino]-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[amino(tridecanoyl)amino]-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-[amino(tridecanoyl)amino]-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide is CCCCCCCCCCCCC(=O)N(N)C(C(=O)Nc1c(OC)cc(OC)cc1OC)c1ccccc1.
What is the InChIKey of 2-[amino(tridecanoyl)amino]-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide?
The InChIKey is QDMRUSNWABBFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45N3O5/c1-5-6-7-8-9-10-11-12-13-17-20-27(34)33(31)29(23-18-15-14-16-19-23)30(35)32-28-25(37-3)21-24(36-2)22-26(28)38-4/h14-16,18-19,21-22,29H,5-13,17,20,31H2,1-4H3,(H,32,35).
What are the key properties of 2-[amino(tridecanoyl)amino]-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide?
2-[amino(tridecanoyl)amino]-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide has a molecular weight of 527.71 g/mol, XLogP of 6.41, 18 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(tridecanoyl)amino]-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide is sourced from PubChem (CID 67723815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).