3-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide

C31H45N5O4 — CID 70116195

IUPAC3-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide
SMILESCCCCCCCCCCCCn1nnc(CC(C(=O)Nc2c(OC)cc(OC)cc2OC)c2ccccc2)n1
InChIInChI=1S/C31H45N5O4/c1-5-6-7-8-9-10-11-12-13-17-20-36-34-29(33-35-36)23-26(24-18-15-14-16-19-24)31(37)32-30-27(39-3)21-25(38-2)22-28(30)40-4/h14-16,18-19,21-22,26H,5-13,17,20,23H2,1-4H3,(H,32,37)
InChIKeyRSYKERNQIGZWTP-UHFFFAOYSA-N
MW551.73 g/mol
LogP6.58
Rot. Bonds19

About 3-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide

3-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide (PubChem CID 70116195) has the molecular formula C31H45N5O4 and a molecular weight of 551.73 g/mol. Its IUPAC name is 3-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide
PubChem CID70116195
Molecular FormulaC31H45N5O4
Molecular Weight551.73 g/mol
Exact Mass551.35
IUPAC Name3-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide
SMILESCCCCCCCCCCCCn1nnc(CC(C(=O)Nc2c(OC)cc(OC)cc2OC)c2ccccc2)n1
InChIInChI=1S/C31H45N5O4/c1-5-6-7-8-9-10-11-12-13-17-20-36-34-29(33-35-36)23-26(24-18-15-14-16-19-24)31(37)32-30-27(39-3)21-25(38-2)22-28(30)40-4/h14-16,18-19,21-22,26H,5-13,17,20,23H2,1-4H3,(H,32,37)
InChIKeyRSYKERNQIGZWTP-UHFFFAOYSA-N
XLogP6.58
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.73
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-dodecyl-N-(2,4,6-trimethoxyphenyl)tetrazole-5-carboxamide
CID 11797683
2-[4-(dimethylamino)phenyl]-2-(2-dodecyltetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)acetamide
CID 10674764
2-(5-dodecyltetrazol-2-yl)-2-(2-ethylphenyl)-N-(2,4,6-trimethoxyphenyl)acetamide
CID 57152372
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-[amino(tridecanoyl)amino]-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide
CID 67723815
2-(5-dodecyl-2H-1,2,4-oxadiazin-3-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide
CID 70126186
(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpentanamide
CID 7697928
(3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide
CID 10546372
3-phenyl-2-(2H-tetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)propanamide
CID 70114803
N-(3,5-dimethoxyphenyl)-2-phenylbutanamide
CID 2924276
2-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,3,5-trimethylphenyl)acetamide
CID 142884894

Frequently Asked Questions

What is the IUPAC name of 3-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide?
The IUPAC name of 3-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide (CID 70116195) is 3-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide?
The canonical SMILES for 3-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide is CCCCCCCCCCCCn1nnc(CC(C(=O)Nc2c(OC)cc(OC)cc2OC)c2ccccc2)n1.
What is the InChIKey of 3-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide?
The InChIKey is RSYKERNQIGZWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H45N5O4/c1-5-6-7-8-9-10-11-12-13-17-20-36-34-29(33-35-36)23-26(24-18-15-14-16-19-24)31(37)32-30-27(39-3)21-25(38-2)22-28(30)40-4/h14-16,18-19,21-22,26H,5-13,17,20,23H2,1-4H3,(H,32,37).
What are the key properties of 3-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide?
3-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide has a molecular weight of 551.73 g/mol, XLogP of 6.58, 19 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide is sourced from PubChem (CID 70116195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).