N-[1-phenyl-2-(triazol-2-yl)ethyl]-3-(2,3,4-trimethoxyphenyl)propanamide

C22H26N4O4 — CID 121176307

IUPACN-[1-phenyl-2-(triazol-2-yl)ethyl]-3-(2,3,4-trimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC(Cn2nccn2)c2ccccc2)c(OC)c1OC
InChIInChI=1S/C22H26N4O4/c1-28-19-11-9-17(21(29-2)22(19)30-3)10-12-20(27)25-18(15-26-23-13-14-24-26)16-7-5-4-6-8-16/h4-9,11,13-14,18H,10,12,15H2,1-3H3,(H,25,27)
InChIKeyHVZZPQHBBHJXRY-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.79
Rot. Bonds10

About N-[1-phenyl-2-(triazol-2-yl)ethyl]-3-(2,3,4-trimethoxyphenyl)propanamide

N-[1-phenyl-2-(triazol-2-yl)ethyl]-3-(2,3,4-trimethoxyphenyl)propanamide (PubChem CID 121176307) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[1-phenyl-2-(triazol-2-yl)ethyl]-3-(2,3,4-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[1-phenyl-2-(triazol-2-yl)ethyl]-3-(2,3,4-trimethoxyphenyl)propanamide
PubChem CID121176307
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC NameN-[1-phenyl-2-(triazol-2-yl)ethyl]-3-(2,3,4-trimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC(Cn2nccn2)c2ccccc2)c(OC)c1OC
InChIInChI=1S/C22H26N4O4/c1-28-19-11-9-17(21(29-2)22(19)30-3)10-12-20(27)25-18(15-26-23-13-14-24-26)16-7-5-4-6-8-16/h4-9,11,13-14,18H,10,12,15H2,1-3H3,(H,25,27)
InChIKeyHVZZPQHBBHJXRY-UHFFFAOYSA-N
XLogP2.79
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-phenyl-2-(triazol-2-yl)ethyl]butanamide
CID 121176333
1-(2,3-dimethoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea
CID 121176493
N-[1-phenyl-2-(triazol-2-yl)ethyl]pentanamide
CID 121176209
1-(2-methoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea
CID 121176489
5-chloro-2-methoxy-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzamide
CID 121176252
3-(4-fluoro-3-methylphenyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide
CID 121176314
2-(6-oxopyridazin-1-yl)-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide
CID 124761044
N-(2-methyl-1-phenylpropyl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18090606
2-[3-(2,3,4-trimethoxyphenyl)propanoylamino]acetic acid
CID 119171700
3-(2,3-dimethoxyphenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 18102285
N-[(1R)-1-cyanopropyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 95383426
N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]-2-thiophen-3-ylacetamide
CID 124761273

Frequently Asked Questions

What is the IUPAC name of N-[1-phenyl-2-(triazol-2-yl)ethyl]-3-(2,3,4-trimethoxyphenyl)propanamide?
The IUPAC name of N-[1-phenyl-2-(triazol-2-yl)ethyl]-3-(2,3,4-trimethoxyphenyl)propanamide (CID 121176307) is N-[1-phenyl-2-(triazol-2-yl)ethyl]-3-(2,3,4-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-[1-phenyl-2-(triazol-2-yl)ethyl]-3-(2,3,4-trimethoxyphenyl)propanamide?
The canonical SMILES for N-[1-phenyl-2-(triazol-2-yl)ethyl]-3-(2,3,4-trimethoxyphenyl)propanamide is COc1ccc(CCC(=O)NC(Cn2nccn2)c2ccccc2)c(OC)c1OC.
What is the InChIKey of N-[1-phenyl-2-(triazol-2-yl)ethyl]-3-(2,3,4-trimethoxyphenyl)propanamide?
The InChIKey is HVZZPQHBBHJXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-28-19-11-9-17(21(29-2)22(19)30-3)10-12-20(27)25-18(15-26-23-13-14-24-26)16-7-5-4-6-8-16/h4-9,11,13-14,18H,10,12,15H2,1-3H3,(H,25,27).
What are the key properties of N-[1-phenyl-2-(triazol-2-yl)ethyl]-3-(2,3,4-trimethoxyphenyl)propanamide?
N-[1-phenyl-2-(triazol-2-yl)ethyl]-3-(2,3,4-trimethoxyphenyl)propanamide has a molecular weight of 410.47 g/mol, XLogP of 2.79, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-phenyl-2-(triazol-2-yl)ethyl]-3-(2,3,4-trimethoxyphenyl)propanamide is sourced from PubChem (CID 121176307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).