N-[4-methoxy-3-[[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]carbamoylamino]phenyl]acetamide

C15H20N6O3 — CID 97270113

IUPACN-[4-methoxy-3-[[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]carbamoylamino]phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)N[C@@H](C)c1n[nH]c(C)n1
InChIInChI=1S/C15H20N6O3/c1-8(14-17-9(2)20-21-14)16-15(23)19-12-7-11(18-10(3)22)5-6-13(12)24-4/h5-8H,1-4H3,(H,18,22)(H2,16,19,23)(H,17,20,21)/t8-/m0/s1
InChIKeyFRYBLBVZOYRVEV-QMMMGPOBSA-N
MW332.36 g/mol
LogP1.96
Rot. Bonds5

About N-[4-methoxy-3-[[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]carbamoylamino]phenyl]acetamide

N-[4-methoxy-3-[[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]carbamoylamino]phenyl]acetamide (PubChem CID 97270113) has the molecular formula C15H20N6O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[4-methoxy-3-[[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methoxy-3-[[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]carbamoylamino]phenyl]acetamide
PubChem CID97270113
Molecular FormulaC15H20N6O3
Molecular Weight332.36 g/mol
Exact Mass332.16
IUPAC NameN-[4-methoxy-3-[[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]carbamoylamino]phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)N[C@@H](C)c1n[nH]c(C)n1
InChIInChI=1S/C15H20N6O3/c1-8(14-17-9(2)20-21-14)16-15(23)19-12-7-11(18-10(3)22)5-6-13(12)24-4/h5-8H,1-4H3,(H,18,22)(H2,16,19,23)(H,17,20,21)/t8-/m0/s1
InChIKeyFRYBLBVZOYRVEV-QMMMGPOBSA-N
XLogP1.96
TPSA121.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[4-methoxy-3-[[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]carbamoylamino]phenyl]acetamide with MolForge

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Related Compounds

N-[4-methoxy-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethylcarbamoylamino]phenyl]acetamide
CID 72848123
N-[3-[1-(3-chlorophenyl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide
CID 47033008
N-[3-[[(2S,3S)-4-hydroxy-3-methylbutan-2-yl]carbamoylamino]-4-methoxyphenyl]acetamide
CID 95775570
N-[4-methoxy-3-[(2-methyl-1-phenylpropyl)carbamoylamino]phenyl]acetamide
CID 47033000
(2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide
CID 9329057
N-(5-acetamido-2-methoxyphenyl)-2-aminopropanamide;hydrochloride
CID 119266368
N-[4-methoxy-3-[[(2S)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide
CID 52505927
N-[4-methoxy-3-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide
CID 52505928
(2R)-2-(5-acetamido-2-methoxyanilino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 2474947
(2R)-2-(5-acetamido-2-methoxyanilino)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 2474949
N-(5-acetamido-2-methoxyphenyl)-3-amino-2-methylpropanamide
CID 62671021
N-(5-acetamido-2-methoxyphenyl)-2-(azetidin-3-yl)propanamide
CID 116675530

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-[[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]carbamoylamino]phenyl]acetamide?
The IUPAC name of N-[4-methoxy-3-[[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]carbamoylamino]phenyl]acetamide (CID 97270113) is N-[4-methoxy-3-[[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-methoxy-3-[[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[4-methoxy-3-[[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]carbamoylamino]phenyl]acetamide is COc1ccc(NC(C)=O)cc1NC(=O)N[C@@H](C)c1n[nH]c(C)n1.
What is the InChIKey of N-[4-methoxy-3-[[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]carbamoylamino]phenyl]acetamide?
The InChIKey is FRYBLBVZOYRVEV-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H20N6O3/c1-8(14-17-9(2)20-21-14)16-15(23)19-12-7-11(18-10(3)22)5-6-13(12)24-4/h5-8H,1-4H3,(H,18,22)(H2,16,19,23)(H,17,20,21)/t8-/m0/s1.
What are the key properties of N-[4-methoxy-3-[[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]carbamoylamino]phenyl]acetamide?
N-[4-methoxy-3-[[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]carbamoylamino]phenyl]acetamide has a molecular weight of 332.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 97270113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).