N-[1-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

C15H24N2O4 — CID 111482737

IUPACN-[1-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)NCC(C)(O)c1ccco1
InChIInChI=1S/C15H24N2O4/c1-10(17-13(19)14(2,3)4)12(18)16-9-15(5,20)11-7-6-8-21-11/h6-8,10,20H,9H2,1-5H3,(H,16,18)(H,17,19)
InChIKeyGNBHOPVQFSROJI-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.15
Rot. Bonds5

About N-[1-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

N-[1-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide (PubChem CID 111482737) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[1-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
PubChem CID111482737
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC NameN-[1-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)NCC(C)(O)c1ccco1
InChIInChI=1S/C15H24N2O4/c1-10(17-13(19)14(2,3)4)12(18)16-9-15(5,20)11-7-6-8-21-11/h6-8,10,20H,9H2,1-5H3,(H,16,18)(H,17,19)
InChIKeyGNBHOPVQFSROJI-UHFFFAOYSA-N
XLogP1.15
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpentanamide
CID 111482352
1-[(2S)-3,3-dimethylbutan-2-yl]-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea
CID 95934768
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(3-methylbutoxy)propanamide
CID 111482542
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(2-methylpropoxy)propan-2-yl]urea
CID 111480769
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1-phenylethyl)urea
CID 111478738
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
N-[2-(furan-2-yl)-2-hydroxypropyl]cyclopropanecarboxamide
CID 71782530
2-(2,6-dimethylmorpholin-4-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methylbutanamide
CID 111482302
N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-[4-(2-methylpropyl)phenyl]acetamide
CID 111481934
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)urea
CID 110007216

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide (CID 111482737) is N-[1-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide is CC(NC(=O)C(C)(C)C)C(=O)NCC(C)(O)c1ccco1.
What is the InChIKey of N-[1-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is GNBHOPVQFSROJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-10(17-13(19)14(2,3)4)12(18)16-9-15(5,20)11-7-6-8-21-11/h6-8,10,20H,9H2,1-5H3,(H,16,18)(H,17,19).
What are the key properties of N-[1-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
N-[1-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 296.37 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 111482737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).