N-(furan-2-ylmethyl)-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanamide

C14H24N2O3 — CID 106189742

IUPACN-(furan-2-ylmethyl)-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanamide
SMILESCC(NC(C)(C)C(C)(C)O)C(=O)NCc1ccco1
InChIInChI=1S/C14H24N2O3/c1-10(16-13(2,3)14(4,5)18)12(17)15-9-11-7-6-8-19-11/h6-8,10,16,18H,9H2,1-5H3,(H,15,17)
InChIKeyIADCILAMFYIJAR-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.42
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanamide

N-(furan-2-ylmethyl)-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanamide (PubChem CID 106189742) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanamide
PubChem CID106189742
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC NameN-(furan-2-ylmethyl)-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanamide
SMILESCC(NC(C)(C)C(C)(C)O)C(=O)NCc1ccco1
InChIInChI=1S/C14H24N2O3/c1-10(16-13(2,3)14(4,5)18)12(17)15-9-11-7-6-8-19-11/h6-8,10,16,18H,9H2,1-5H3,(H,15,17)
InChIKeyIADCILAMFYIJAR-UHFFFAOYSA-N
XLogP1.42
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-[(4-hydroxy-2,2-dimethylbutyl)amino]propanamide
CID 106146484
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
N-(furan-2-ylmethyl)-2-(methoxyamino)propanamide
CID 60702583
2-[[2-(dimethylamino)-2-methylpropyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 54940460
2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 106147403
2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466208
2-(2-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088644
2-(cyclopropylamino)-N-(furan-2-ylmethyl)propanamide
CID 43084580
2-(2-aminoethylamino)-N-(furan-2-ylmethyl)propanamide
CID 62139964
N-(furan-2-ylmethyl)-2-(2,2,3,3-tetrafluoropropylamino)propanamide
CID 106291294
2-(cyclopent-3-en-1-ylamino)-N-(furan-2-ylmethyl)propanamide
CID 113475228
2-[1-(dimethylamino)propan-2-ylamino]-N-(furan-2-ylmethyl)propanamide
CID 82938141

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanamide (CID 106189742) is N-(furan-2-ylmethyl)-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanamide is CC(NC(C)(C)C(C)(C)O)C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanamide?
The InChIKey is IADCILAMFYIJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10(16-13(2,3)14(4,5)18)12(17)15-9-11-7-6-8-19-11/h6-8,10,16,18H,9H2,1-5H3,(H,15,17).
What are the key properties of N-(furan-2-ylmethyl)-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanamide?
N-(furan-2-ylmethyl)-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanamide has a molecular weight of 268.36 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanamide is sourced from PubChem (CID 106189742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).