5-formyl-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]furan-2-carboxamide

C17H24N2O5 — CID 23653741

IUPAC5-formyl-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCC(C)C[C@@H](C=O)NC(=O)[C@@H](NC(=O)c1ccc(C=O)o1)C(C)C
InChIInChI=1S/C17H24N2O5/c1-10(2)7-12(8-20)18-17(23)15(11(3)4)19-16(22)14-6-5-13(9-21)24-14/h5-6,8-12,15H,7H2,1-4H3,(H,18,23)(H,19,22)/t12-,15-/m0/s1
InChIKeyNMCYCUZKFGJWIM-WFASDCNBSA-N
MW336.39 g/mol
LogP1.58
Rot. Bonds9

About 5-formyl-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]furan-2-carboxamide

5-formyl-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 23653741) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is 5-formyl-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-formyl-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]furan-2-carboxamide
PubChem CID23653741
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name5-formyl-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCC(C)C[C@@H](C=O)NC(=O)[C@@H](NC(=O)c1ccc(C=O)o1)C(C)C
InChIInChI=1S/C17H24N2O5/c1-10(2)7-12(8-20)18-17(23)15(11(3)4)19-16(22)14-6-5-13(9-21)24-14/h5-6,8-12,15H,7H2,1-4H3,(H,18,23)(H,19,22)/t12-,15-/m0/s1
InChIKeyNMCYCUZKFGJWIM-WFASDCNBSA-N
XLogP1.58
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-formyl-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

A 317920
CID 10389213
1-(2-Furoyl)piperazine
CID 550206
4-Acetyl 1-(2-furoyl)piperazine
CID 565340
N-benzylfuran-2-carboxamide
CID 347531
N-(2-Furoyl)glycine methyl ester
CID 518748
2-furoyl-LIGRLO-amide
CID 10395438
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 11475093
Furan-2-carboxamide deriv., 17
CID 44236903
Furan-2-carboxamide deriv., 19
CID 44236905
N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]furan-2-carboxamide
CID 162515877
(4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmethylfuran-2-yl)-methanone
CID 11244101
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 694979

Frequently Asked Questions

What is the IUPAC name of 5-formyl-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]furan-2-carboxamide?
The IUPAC name of 5-formyl-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]furan-2-carboxamide (CID 23653741) is 5-formyl-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]furan-2-carboxamide.
What is the SMILES notation for 5-formyl-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]furan-2-carboxamide?
The canonical SMILES for 5-formyl-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]furan-2-carboxamide is CC(C)C[C@@H](C=O)NC(=O)[C@@H](NC(=O)c1ccc(C=O)o1)C(C)C.
What is the InChIKey of 5-formyl-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]furan-2-carboxamide?
The InChIKey is NMCYCUZKFGJWIM-WFASDCNBSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-10(2)7-12(8-20)18-17(23)15(11(3)4)19-16(22)14-6-5-13(9-21)24-14/h5-6,8-12,15H,7H2,1-4H3,(H,18,23)(H,19,22)/t12-,15-/m0/s1.
What are the key properties of 5-formyl-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]furan-2-carboxamide?
5-formyl-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 1.58, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 23653741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).