2-[4-(dimethylamino)phenyl]-2-(2-dodecyltetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)acetamide

C32H48N6O4 — CID 10674764

IUPAC2-[4-(dimethylamino)phenyl]-2-(2-dodecyltetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)acetamide
SMILESCCCCCCCCCCCCn1nnc(C(C(=O)Nc2c(OC)cc(OC)cc2OC)c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C32H48N6O4/c1-7-8-9-10-11-12-13-14-15-16-21-38-35-31(34-36-38)29(24-17-19-25(20-18-24)37(2)3)32(39)33-30-27(41-5)22-26(40-4)23-28(30)42-6/h17-20,22-23,29H,7-16,21H2,1-6H3,(H,33,39)
InChIKeyNUVQWGBGKZMVLP-UHFFFAOYSA-N
MW580.77 g/mol
LogP6.46
Rot. Bonds19

About 2-[4-(dimethylamino)phenyl]-2-(2-dodecyltetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)acetamide

2-[4-(dimethylamino)phenyl]-2-(2-dodecyltetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)acetamide (PubChem CID 10674764) has the molecular formula C32H48N6O4 and a molecular weight of 580.77 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-2-(2-dodecyltetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-2-(2-dodecyltetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)acetamide
PubChem CID10674764
Molecular FormulaC32H48N6O4
Molecular Weight580.77 g/mol
Exact Mass580.37
IUPAC Name2-[4-(dimethylamino)phenyl]-2-(2-dodecyltetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)acetamide
SMILESCCCCCCCCCCCCn1nnc(C(C(=O)Nc2c(OC)cc(OC)cc2OC)c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C32H48N6O4/c1-7-8-9-10-11-12-13-14-15-16-21-38-35-31(34-36-38)29(24-17-19-25(20-18-24)37(2)3)32(39)33-30-27(41-5)22-26(40-4)23-28(30)42-6/h17-20,22-23,29H,7-16,21H2,1-6H3,(H,33,39)
InChIKeyNUVQWGBGKZMVLP-UHFFFAOYSA-N
XLogP6.46
TPSA103.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.77
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-dodecyl-N-(2,4,6-trimethoxyphenyl)tetrazole-5-carboxamide
CID 11797683
2-(2-dodecyltetrazol-5-yl)-2-methyl-N-(2,4,6-trimethoxyphenyl)propanamide
CID 10163395
2,2-bis(methylsulfonyl)-2-(2-tridecyltetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)acetamide
CID 142649569
2-(5-dodecyltetrazol-2-yl)-2-(2-ethylphenyl)-N-(2,4,6-trimethoxyphenyl)acetamide
CID 57152372
2-(5-dodecyl-2H-1,2,4-oxadiazin-3-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide
CID 70126186
2-[amino(tridecanoyl)amino]-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide
CID 67723815
N-[2,6-di(propan-2-yl)phenyl]-2-(2-dodecyltetrazol-5-yl)-2-(4-methylpiperazin-1-yl)acetamide
CID 19377675
2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)octadecanamide
CID 14276081
2-(4-tert-butylphenyl)sulfanyl-N-(2,4,6-trimethoxyphenyl)octanamide
CID 14995488
(E)-N-(2,4,6-trimethoxyphenyl)icos-11-enamide
CID 67862538
(Z)-N-(2,4,6-trimethoxyphenyl)octadec-9-enamide
CID 14157095

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-2-(2-dodecyltetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)acetamide?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-2-(2-dodecyltetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)acetamide (CID 10674764) is 2-[4-(dimethylamino)phenyl]-2-(2-dodecyltetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-2-(2-dodecyltetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-2-(2-dodecyltetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)acetamide is CCCCCCCCCCCCn1nnc(C(C(=O)Nc2c(OC)cc(OC)cc2OC)c2ccc(N(C)C)cc2)n1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-2-(2-dodecyltetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)acetamide?
The InChIKey is NUVQWGBGKZMVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48N6O4/c1-7-8-9-10-11-12-13-14-15-16-21-38-35-31(34-36-38)29(24-17-19-25(20-18-24)37(2)3)32(39)33-30-27(41-5)22-26(40-4)23-28(30)42-6/h17-20,22-23,29H,7-16,21H2,1-6H3,(H,33,39).
What are the key properties of 2-[4-(dimethylamino)phenyl]-2-(2-dodecyltetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)acetamide?
2-[4-(dimethylamino)phenyl]-2-(2-dodecyltetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)acetamide has a molecular weight of 580.77 g/mol, XLogP of 6.46, 19 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-2-(2-dodecyltetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)acetamide is sourced from PubChem (CID 10674764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).