N-[2-[[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide

C22H27N3O4 — CID 7612713

IUPACN-[2-[[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCC(C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)N1CCCCC1
InChIInChI=1S/C22H27N3O4/c1-15(2)19(22(28)25-12-6-3-7-13-25)24-20(26)16-9-4-5-10-17(16)23-21(27)18-11-8-14-29-18/h4-5,8-11,14-15,19H,3,6-7,12-13H2,1-2H3,(H,23,27)(H,24,26)/t19-/m0/s1
InChIKeyQVASULREAJBVOH-IBGZPJMESA-N
MW397.48 g/mol
LogP3.30
Rot. Bonds6

About N-[2-[[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide

N-[2-[[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 7612713) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[2-[[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID7612713
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-[2-[[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCC(C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)N1CCCCC1
InChIInChI=1S/C22H27N3O4/c1-15(2)19(22(28)25-12-6-3-7-13-25)24-20(26)16-9-4-5-10-17(16)23-21(27)18-11-8-14-29-18/h4-5,8-11,14-15,19H,3,6-7,12-13H2,1-2H3,(H,23,27)(H,24,26)/t19-/m0/s1
InChIKeyQVASULREAJBVOH-IBGZPJMESA-N
XLogP3.30
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[(2R)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 42562193
2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylbutanoate
CID 4158153
2-[(4-methoxybenzoyl)amino]-N-(3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl)benzamide
CID 2868109
2-[[2-(furan-2-carbonylamino)benzoyl]amino]propanoate
CID 3487490
(2R,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoic acid
CID 829507
methyl (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate
CID 7033926
(2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate
CID 7035399
N-[2-[[(2S)-1-(dicyclohexylamino)-1-oxopropan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 25357652
N-[2-[[1-(cyclohexylamino)-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 2930202
(3R)-N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 34742118
2-chloro-N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 119415950
N-[3-methyl-1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-1-oxobutan-2-yl]furan-2-carboxamide
CID 43042153

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide (CID 7612713) is N-[2-[[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide is CC(C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)N1CCCCC1.
What is the InChIKey of N-[2-[[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is QVASULREAJBVOH-IBGZPJMESA-N. The full InChI is InChI=1S/C22H27N3O4/c1-15(2)19(22(28)25-12-6-3-7-13-25)24-20(26)16-9-4-5-10-17(16)23-21(27)18-11-8-14-29-18/h4-5,8-11,14-15,19H,3,6-7,12-13H2,1-2H3,(H,23,27)(H,24,26)/t19-/m0/s1.
What are the key properties of N-[2-[[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide?
N-[2-[[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 7612713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).