N-[(2R)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

C16H24N2O3 — CID 42562193

IUPACN-[(2R)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCCCCC1
InChIInChI=1S/C16H24N2O3/c1-12(2)14(17-15(19)13-8-7-11-21-13)16(20)18-9-5-3-4-6-10-18/h7-8,11-12,14H,3-6,9-10H2,1-2H3,(H,17,19)/t14-/m1/s1
InChIKeyMJYXYIIDYCSDIW-CQSZACIVSA-N
MW292.38 g/mol
LogP2.44
Rot. Bonds4

About N-[(2R)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

N-[(2R)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 42562193) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(2R)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
PubChem CID42562193
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[(2R)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCCCCC1
InChIInChI=1S/C16H24N2O3/c1-12(2)14(17-15(19)13-8-7-11-21-13)16(20)18-9-5-3-4-6-10-18/h7-8,11-12,14H,3-6,9-10H2,1-2H3,(H,17,19)/t14-/m1/s1
InChIKeyMJYXYIIDYCSDIW-CQSZACIVSA-N
XLogP2.44
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 7612713
N-[3-methyl-1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-1-oxobutan-2-yl]furan-2-carboxamide
CID 43042153
N-[3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]furan-2-carboxamide;hydrochloride
CID 119546608
N-[3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]furan-2-carboxamide
CID 119398584
[1-(azepan-1-yl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 18280287
N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 120814575
N-[(2S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 24536788
N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 120804331
N-[3-methyl-1-oxo-1-(4-piperidin-1-ylanilino)butan-2-yl]furan-2-carboxamide
CID 42908988
N-[(2S)-3-methyl-1-oxo-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butan-2-yl]furan-2-carboxamide
CID 41268134
N-[(2S)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 9036546
(3R,4R)-4-cyclopropyl-1-[2-(furan-2-carbonylamino)-3-methylbutanoyl]pyrrolidine-3-carboxylic acid
CID 120979628

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2R)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (CID 42562193) is N-[(2R)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2R)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCCCCC1.
What is the InChIKey of N-[(2R)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The InChIKey is MJYXYIIDYCSDIW-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(2)14(17-15(19)13-8-7-11-21-13)16(20)18-9-5-3-4-6-10-18/h7-8,11-12,14H,3-6,9-10H2,1-2H3,(H,17,19)/t14-/m1/s1.
What are the key properties of N-[(2R)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
N-[(2R)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 42562193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).