N-[2-methoxy-5-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pentanamide

C17H23N5O3 — CID 46999025

IUPACN-[2-methoxy-5-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pentanamide
SMILESCCCCC(=O)Nc1cc(NC(=O)C(C)n2cncn2)ccc1OC
InChIInChI=1S/C17H23N5O3/c1-4-5-6-16(23)21-14-9-13(7-8-15(14)25-3)20-17(24)12(2)22-11-18-10-19-22/h7-12H,4-6H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyWEQUVERBXHZGDN-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.62
Rot. Bonds8

About N-[2-methoxy-5-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pentanamide

N-[2-methoxy-5-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pentanamide (PubChem CID 46999025) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[2-methoxy-5-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pentanamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pentanamide
PubChem CID46999025
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC NameN-[2-methoxy-5-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pentanamide
SMILESCCCCC(=O)Nc1cc(NC(=O)C(C)n2cncn2)ccc1OC
InChIInChI=1S/C17H23N5O3/c1-4-5-6-16(23)21-14-9-13(7-8-15(14)25-3)20-17(24)12(2)22-11-18-10-19-22/h7-12H,4-6H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyWEQUVERBXHZGDN-UHFFFAOYSA-N
XLogP2.62
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(2-aminoacetyl)amino]-4-methoxyphenyl]pentanamide
CID 39185870
N-[2-methoxy-5-(1,2,2-tricyanoethenylamino)phenyl]pentanamide
CID 168607043
3-methoxy-4-propan-2-yloxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 46431579
N-[4-(3-pyridin-4-ylpropanoylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 60509170
N-[4-[[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 60530203
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 42947731
N-[4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 42957341
4-thiophen-2-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide
CID 42957346
N-[4-[3-(2-chloro-4-fluorophenoxy)propanoylamino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 55778051
3-chloro-4-ethoxy-5-methoxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 46402638
(3S)-N-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide
CID 8722030
3-amino-N-[4-methoxy-3-(pentanoylamino)phenyl]-1H-pyrazole-5-carboxamide
CID 50949902

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pentanamide?
The IUPAC name of N-[2-methoxy-5-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pentanamide (CID 46999025) is N-[2-methoxy-5-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pentanamide.
What is the SMILES notation for N-[2-methoxy-5-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pentanamide?
The canonical SMILES for N-[2-methoxy-5-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pentanamide is CCCCC(=O)Nc1cc(NC(=O)C(C)n2cncn2)ccc1OC.
What is the InChIKey of N-[2-methoxy-5-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pentanamide?
The InChIKey is WEQUVERBXHZGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-4-5-6-16(23)21-14-9-13(7-8-15(14)25-3)20-17(24)12(2)22-11-18-10-19-22/h7-12H,4-6H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of N-[2-methoxy-5-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pentanamide?
N-[2-methoxy-5-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pentanamide has a molecular weight of 345.40 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pentanamide is sourced from PubChem (CID 46999025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).