2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide

C16H26N2O3 — CID 4153616

IUPAC2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide
SMILESCCCNC(=O)CCN(C(=O)c1cc(C)oc1C)C(C)C
InChIInChI=1S/C16H26N2O3/c1-6-8-17-15(19)7-9-18(11(2)3)16(20)14-10-12(4)21-13(14)5/h10-11H,6-9H2,1-5H3,(H,17,19)
InChIKeyLVFNMPCWWQSFOA-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.66
Rot. Bonds7

About 2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide

2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide (PubChem CID 4153616) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide
PubChem CID4153616
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide
SMILESCCCNC(=O)CCN(C(=O)c1cc(C)oc1C)C(C)C
InChIInChI=1S/C16H26N2O3/c1-6-8-17-15(19)7-9-18(11(2)3)16(20)14-10-12(4)21-13(14)5/h10-11H,6-9H2,1-5H3,(H,17,19)
InChIKeyLVFNMPCWWQSFOA-UHFFFAOYSA-N
XLogP2.66
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
N-(2-bromoethyl)-2,5-dimethyl-N-propan-2-ylfuran-3-carboxamide
CID 80666211
N-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]furan-3-carboxamide
CID 7482300
methyl 2-[(2,5-dimethylfuran-3-carbonyl)-propan-2-ylamino]acetate
CID 54942114
N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide
CID 42780086
N-(2-methoxyethyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 42779764
N-[3-(hexylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2,5-dimethylfuran-3-carboxamide
CID 42779763
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
N-[3-(benzylamino)-3-oxopropyl]-2,5-dimethyl-N-propylfuran-3-carboxamide
CID 42779701
N-[2-[(2-chloroacetyl)amino]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 166429368
2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide
CID 35523982

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide (CID 4153616) is 2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide is CCCNC(=O)CCN(C(=O)c1cc(C)oc1C)C(C)C.
What is the InChIKey of 2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide?
The InChIKey is LVFNMPCWWQSFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-6-8-17-15(19)7-9-18(11(2)3)16(20)14-10-12(4)21-13(14)5/h10-11H,6-9H2,1-5H3,(H,17,19).
What are the key properties of 2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide?
2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide has a molecular weight of 294.39 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide is sourced from PubChem (CID 4153616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).