N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-phenyloxane-4-carboxamide

C19H26N4O2 — CID 129417065

IUPACN-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-phenyloxane-4-carboxamide
SMILESCC(C)[C@H](Cn1nccn1)NC(=O)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C19H26N4O2/c1-15(2)17(14-23-20-10-11-21-23)22-18(24)19(8-12-25-13-9-19)16-6-4-3-5-7-16/h3-7,10-11,15,17H,8-9,12-14H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyKVNWFTBATLZCBR-KRWDZBQOSA-N
MW342.44 g/mol
LogP2.17
Rot. Bonds6

About N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-phenyloxane-4-carboxamide

N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-phenyloxane-4-carboxamide (PubChem CID 129417065) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-phenyloxane-4-carboxamide
PubChem CID129417065
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-phenyloxane-4-carboxamide
SMILESCC(C)[C@H](Cn1nccn1)NC(=O)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C19H26N4O2/c1-15(2)17(14-23-20-10-11-21-23)22-18(24)19(8-12-25-13-9-19)16-6-4-3-5-7-16/h3-7,10-11,15,17H,8-9,12-14H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyKVNWFTBATLZCBR-KRWDZBQOSA-N
XLogP2.17
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-phenyloxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 79245883
N-benzhydryl-4-phenyloxane-4-carboxamide
CID 27456066
1-phenyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]cyclopropane-1-carboxamide
CID 95593407
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-4-phenyloxane-4-carboxamide
CID 100771023
N-[1-(2-methoxyphenyl)ethyl]-4-phenyloxane-4-carboxamide
CID 133202792
N-[4-(furan-2-yl)-4-oxobutan-2-yl]-4-phenyloxane-4-carboxamide
CID 122144052
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-phenyloxane-4-carboxamide
CID 100723506
N-[2-(methylamino)propyl]-4-phenyloxane-4-carboxamide;hydrochloride
CID 120832802
N-[(1S)-3-methyl-1-(1-methylbenzimidazol-2-yl)butyl]-4-phenyloxane-4-carboxamide
CID 91640712
N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-4-phenyloxane-4-carboxamide
CID 75489193
4-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide
CID 4250680
N-[2-cyclopropyl-2-[(4-phenyloxane-4-carbonyl)amino]ethyl]-4-phenyloxane-4-carboxamide
CID 60615517

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-phenyloxane-4-carboxamide (CID 129417065) is N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-phenyloxane-4-carboxamide is CC(C)[C@H](Cn1nccn1)NC(=O)C1(c2ccccc2)CCOCC1.
What is the InChIKey of N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-phenyloxane-4-carboxamide?
The InChIKey is KVNWFTBATLZCBR-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15(2)17(14-23-20-10-11-21-23)22-18(24)19(8-12-25-13-9-19)16-6-4-3-5-7-16/h3-7,10-11,15,17H,8-9,12-14H2,1-2H3,(H,22,24)/t17-/m0/s1.
What are the key properties of N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-phenyloxane-4-carboxamide?
N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-phenyloxane-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 129417065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).