N-[5-methyl-2-(pentanoylamino)phenyl]oxolane-2-carboxamide

C17H24N2O3 — CID 17362633

IUPACN-[5-methyl-2-(pentanoylamino)phenyl]oxolane-2-carboxamide
SMILESCCCCC(=O)Nc1ccc(C)cc1NC(=O)C1CCCO1
InChIInChI=1S/C17H24N2O3/c1-3-4-7-16(20)18-13-9-8-12(2)11-14(13)19-17(21)15-6-5-10-22-15/h8-9,11,15H,3-7,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyDRWJGBLZTGAMCU-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.24
Rot. Bonds6

About N-[5-methyl-2-(pentanoylamino)phenyl]oxolane-2-carboxamide

N-[5-methyl-2-(pentanoylamino)phenyl]oxolane-2-carboxamide (PubChem CID 17362633) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[5-methyl-2-(pentanoylamino)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-2-(pentanoylamino)phenyl]oxolane-2-carboxamide
PubChem CID17362633
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[5-methyl-2-(pentanoylamino)phenyl]oxolane-2-carboxamide
SMILESCCCCC(=O)Nc1ccc(C)cc1NC(=O)C1CCCO1
InChIInChI=1S/C17H24N2O3/c1-3-4-7-16(20)18-13-9-8-12(2)11-14(13)19-17(21)15-6-5-10-22-15/h8-9,11,15H,3-7,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyDRWJGBLZTGAMCU-UHFFFAOYSA-N
XLogP3.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7926588
N-[2-(3-aminopropanoylamino)-4-methylphenyl]pentanamide
CID 82034599
N-[2-(3-aminopropanoylamino)-4-fluorophenyl]oxolane-2-carboxamide
CID 82034303
N-[4-methyl-2-[(5-oxo-5-phenylpentanoyl)amino]phenyl]cyclopentanecarboxamide
CID 131938609
N-[5-bromo-2-(ethylamino)phenyl]oxolane-2-carboxamide
CID 75499394
N-[2-[(2-aminoacetyl)amino]phenyl]oxolane-2-carboxamide
CID 82034964
N-[2-[(2,5-dimethylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 4916607
N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide
CID 42906730
3-methyl-4-(oxolane-2-carbonylamino)benzoic acid
CID 16774236
N-[3-(3-aminopropanoylamino)-4-ethylphenyl]oxolane-2-carboxamide
CID 82034531
N-(2-chloro-5-methyl-3-pyridinyl)oxolane-2-carboxamide
CID 102979589
N-(2-bromo-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956762

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(pentanoylamino)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[5-methyl-2-(pentanoylamino)phenyl]oxolane-2-carboxamide (CID 17362633) is N-[5-methyl-2-(pentanoylamino)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[5-methyl-2-(pentanoylamino)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[5-methyl-2-(pentanoylamino)phenyl]oxolane-2-carboxamide is CCCCC(=O)Nc1ccc(C)cc1NC(=O)C1CCCO1.
What is the InChIKey of N-[5-methyl-2-(pentanoylamino)phenyl]oxolane-2-carboxamide?
The InChIKey is DRWJGBLZTGAMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-4-7-16(20)18-13-9-8-12(2)11-14(13)19-17(21)15-6-5-10-22-15/h8-9,11,15H,3-7,10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[5-methyl-2-(pentanoylamino)phenyl]oxolane-2-carboxamide?
N-[5-methyl-2-(pentanoylamino)phenyl]oxolane-2-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(pentanoylamino)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 17362633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).