N-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]furan-3-carboxamide

C21H36N3O3+ — CID 7482300

IUPACN-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]furan-3-carboxamide
SMILESCC[C@@H](C)N(CCC(=O)NCC[NH+]1CCCCC1)C(=O)c1cc(C)oc1C
InChIInChI=1S/C21H35N3O3/c1-5-16(2)24(21(26)19-15-17(3)27-18(19)4)13-9-20(25)22-10-14-23-11-7-6-8-12-23/h15-16H,5-14H2,1-4H3,(H,22,25)/p+1/t16-/m1/s1
InChIKeyFAJQBXLTIFUNFD-MRXNPFEDSA-O
MW378.54 g/mol
LogP1.71
Rot. Bonds9

About N-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]furan-3-carboxamide

N-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]furan-3-carboxamide (PubChem CID 7482300) has the molecular formula C21H36N3O3+ and a molecular weight of 378.54 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]furan-3-carboxamide
PubChem CID7482300
Molecular FormulaC21H36N3O3+
Molecular Weight378.54 g/mol
Exact Mass378.28
IUPAC NameN-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]furan-3-carboxamide
SMILESCC[C@@H](C)N(CCC(=O)NCC[NH+]1CCCCC1)C(=O)c1cc(C)oc1C
InChIInChI=1S/C21H35N3O3/c1-5-16(2)24(21(26)19-15-17(3)27-18(19)4)13-9-20(25)22-10-14-23-11-7-6-8-12-23/h15-16H,5-14H2,1-4H3,(H,22,25)/p+1/t16-/m1/s1
InChIKeyFAJQBXLTIFUNFD-MRXNPFEDSA-O
XLogP1.71
TPSA66.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]furan-3-carboxamide with MolForge

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Related Compounds

N-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]furan-3-carboxamide
CID 7417691
2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide
CID 4153616
N-benzyl-N-butan-2-yl-2,5-dimethylfuran-3-carboxamide
CID 134025956
N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2,5-dimethylfuran-3-carboxamide
CID 7225250
methyl 2-[(2,5-dimethylfuran-3-carbonyl)-propan-2-ylamino]acetate
CID 54942114
N-(2-methoxyethyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 42779764
N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide
CID 42780086
5-methyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]-N-(2-piperidin-1-ium-1-ylethyl)pyrazine-2-carboxamide
CID 7263419
N-(2-bromoethyl)-2,5-dimethyl-N-propan-2-ylfuran-3-carboxamide
CID 80666211
N-[2-[(2-chloroacetyl)amino]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 166429368
2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide
CID 35523982
N-(2-methoxyethyl)-2,5-dimethyl-N-[3-oxo-3-(2-pyrrolidin-1-ylethylamino)propyl]furan-3-carboxamide
CID 4112868

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]furan-3-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]furan-3-carboxamide (CID 7482300) is N-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]furan-3-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]furan-3-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]furan-3-carboxamide is CC[C@@H](C)N(CCC(=O)NCC[NH+]1CCCCC1)C(=O)c1cc(C)oc1C.
What is the InChIKey of N-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]furan-3-carboxamide?
The InChIKey is FAJQBXLTIFUNFD-MRXNPFEDSA-O. The full InChI is InChI=1S/C21H35N3O3/c1-5-16(2)24(21(26)19-15-17(3)27-18(19)4)13-9-20(25)22-10-14-23-11-7-6-8-12-23/h15-16H,5-14H2,1-4H3,(H,22,25)/p+1/t16-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]furan-3-carboxamide?
N-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]furan-3-carboxamide has a molecular weight of 378.54 g/mol, XLogP of 1.71, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]furan-3-carboxamide is sourced from PubChem (CID 7482300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).