N-[3-[[(2S,3S)-4-hydroxy-3-methylbutan-2-yl]carbamoylamino]-4-methoxyphenyl]acetamide

C15H23N3O4 — CID 95775570

IUPACN-[3-[[(2S,3S)-4-hydroxy-3-methylbutan-2-yl]carbamoylamino]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)N[C@@H](C)[C@H](C)CO
InChIInChI=1S/C15H23N3O4/c1-9(8-19)10(2)16-15(21)18-13-7-12(17-11(3)20)5-6-14(13)22-4/h5-7,9-10,19H,8H2,1-4H3,(H,17,20)(H2,16,18,21)/t9-,10+/m1/s1
InChIKeyIJTAGMJLSNBYLS-ZJUUUORDSA-N
MW309.37 g/mol
LogP1.79
Rot. Bonds6

About N-[3-[[(2S,3S)-4-hydroxy-3-methylbutan-2-yl]carbamoylamino]-4-methoxyphenyl]acetamide

N-[3-[[(2S,3S)-4-hydroxy-3-methylbutan-2-yl]carbamoylamino]-4-methoxyphenyl]acetamide (PubChem CID 95775570) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[3-[[(2S,3S)-4-hydroxy-3-methylbutan-2-yl]carbamoylamino]-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[(2S,3S)-4-hydroxy-3-methylbutan-2-yl]carbamoylamino]-4-methoxyphenyl]acetamide
PubChem CID95775570
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC NameN-[3-[[(2S,3S)-4-hydroxy-3-methylbutan-2-yl]carbamoylamino]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)N[C@@H](C)[C@H](C)CO
InChIInChI=1S/C15H23N3O4/c1-9(8-19)10(2)16-15(21)18-13-7-12(17-11(3)20)5-6-14(13)22-4/h5-7,9-10,19H,8H2,1-4H3,(H,17,20)(H2,16,18,21)/t9-,10+/m1/s1
InChIKeyIJTAGMJLSNBYLS-ZJUUUORDSA-N
XLogP1.79
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[3-[[(2S,3S)-4-hydroxy-3-methylbutan-2-yl]carbamoylamino]-4-methoxyphenyl]acetamide with MolForge

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Related Compounds

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
N-[4-methoxy-3-[(2-methyl-1-phenylpropyl)carbamoylamino]phenyl]acetamide
CID 47033000
N-(5-acetamido-2-methoxyphenyl)-3-amino-2-methylpropanamide
CID 62671021
N-[3-[1-(3-chlorophenyl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide
CID 47033008
N-(5-acetamido-2-methoxyphenyl)-2-aminopropanamide;hydrochloride
CID 119266368
N-[4-methoxy-3-(2-phenylpropylcarbamoylamino)phenyl]acetamide
CID 47033004
N-[3-(2,2-difluoroethylamino)-4-methoxyphenyl]acetamide
CID 154366600
(2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide
CID 9329057
1-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methoxy-2-methylphenyl)urea
CID 111453406
N-[4-methoxy-3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide
CID 72854483
N-[4-methoxy-3-[[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]carbamoylamino]phenyl]acetamide
CID 97270113

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S,3S)-4-hydroxy-3-methylbutan-2-yl]carbamoylamino]-4-methoxyphenyl]acetamide?
The IUPAC name of N-[3-[[(2S,3S)-4-hydroxy-3-methylbutan-2-yl]carbamoylamino]-4-methoxyphenyl]acetamide (CID 95775570) is N-[3-[[(2S,3S)-4-hydroxy-3-methylbutan-2-yl]carbamoylamino]-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-[[(2S,3S)-4-hydroxy-3-methylbutan-2-yl]carbamoylamino]-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-[[(2S,3S)-4-hydroxy-3-methylbutan-2-yl]carbamoylamino]-4-methoxyphenyl]acetamide is COc1ccc(NC(C)=O)cc1NC(=O)N[C@@H](C)[C@H](C)CO.
What is the InChIKey of N-[3-[[(2S,3S)-4-hydroxy-3-methylbutan-2-yl]carbamoylamino]-4-methoxyphenyl]acetamide?
The InChIKey is IJTAGMJLSNBYLS-ZJUUUORDSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-9(8-19)10(2)16-15(21)18-13-7-12(17-11(3)20)5-6-14(13)22-4/h5-7,9-10,19H,8H2,1-4H3,(H,17,20)(H2,16,18,21)/t9-,10+/m1/s1.
What are the key properties of N-[3-[[(2S,3S)-4-hydroxy-3-methylbutan-2-yl]carbamoylamino]-4-methoxyphenyl]acetamide?
N-[3-[[(2S,3S)-4-hydroxy-3-methylbutan-2-yl]carbamoylamino]-4-methoxyphenyl]acetamide has a molecular weight of 309.37 g/mol, XLogP of 1.79, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2S,3S)-4-hydroxy-3-methylbutan-2-yl]carbamoylamino]-4-methoxyphenyl]acetamide is sourced from PubChem (CID 95775570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).