N-(2-propoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)propanamide

C14H18N4O2 — CID 99818406

IUPACN-(2-propoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCCCOc1ccccc1NC(=O)CCc1ncn[nH]1
InChIInChI=1S/C14H18N4O2/c1-2-9-20-12-6-4-3-5-11(12)17-14(19)8-7-13-15-10-16-18-13/h3-6,10H,2,7-9H2,1H3,(H,17,19)(H,15,16,18)
InChIKeyUJGICYXQDYEWMX-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.16
Rot. Bonds7

About N-(2-propoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)propanamide

N-(2-propoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 99818406) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(2-propoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-propoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID99818406
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-(2-propoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCCCOc1ccccc1NC(=O)CCc1ncn[nH]1
InChIInChI=1S/C14H18N4O2/c1-2-9-20-12-6-4-3-5-11(12)17-14(19)8-7-13-15-10-16-18-13/h3-6,10H,2,7-9H2,1H3,(H,17,19)(H,15,16,18)
InChIKeyUJGICYXQDYEWMX-UHFFFAOYSA-N
XLogP2.16
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2-methylpropan-2-yl)oxy]phenyl]-3-(1H-1,2,4-triazol-5-yl)propanamide
CID 126780843
3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride
CID 119268305
3-(furan-2-yl)-N-(2-propoxyphenyl)propanamide
CID 78772786
5-chloro-N-(2-propoxyphenyl)pentanamide
CID 43697480
3-(4-fluorophenoxy)-N-(2-propoxyphenyl)propanamide
CID 31997887
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
N-[4-fluoro-2-(2-fluoroanilino)phenyl]-3-(1H-1,2,4-triazol-5-yl)propanamide
CID 75520223
N-(2-butoxyphenyl)tetradecanamide
CID 54789601
2-methylsulfanyl-N-(2-propoxyphenyl)acetamide
CID 112793569
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-propoxyphenyl)propanamide
CID 46525988
4-(propan-2-ylamino)-N-(2-propoxyphenyl)butanamide
CID 60851317
3-(cyclopropylamino)-N-(2-propoxyphenyl)propanamide
CID 54925076

Frequently Asked Questions

What is the IUPAC name of N-(2-propoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of N-(2-propoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)propanamide (CID 99818406) is N-(2-propoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for N-(2-propoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for N-(2-propoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)propanamide is CCCOc1ccccc1NC(=O)CCc1ncn[nH]1.
What is the InChIKey of N-(2-propoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is UJGICYXQDYEWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-9-20-12-6-4-3-5-11(12)17-14(19)8-7-13-15-10-16-18-13/h3-6,10H,2,7-9H2,1H3,(H,17,19)(H,15,16,18).
What are the key properties of N-(2-propoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)propanamide?
N-(2-propoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 274.32 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 99818406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).