N-(furan-2-ylmethyl)-2-[(4-hydroxy-2,2-dimethylbutyl)amino]propanamide

C14H24N2O3 — CID 106146484

IUPACN-(furan-2-ylmethyl)-2-[(4-hydroxy-2,2-dimethylbutyl)amino]propanamide
SMILESCC(NCC(C)(C)CCO)C(=O)NCc1ccco1
InChIInChI=1S/C14H24N2O3/c1-11(16-10-14(2,3)6-7-17)13(18)15-9-12-5-4-8-19-12/h4-5,8,11,16-17H,6-7,9-10H2,1-3H3,(H,15,18)
InChIKeyOLIUMSADXGNVHI-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.28
Rot. Bonds8

About N-(furan-2-ylmethyl)-2-[(4-hydroxy-2,2-dimethylbutyl)amino]propanamide

N-(furan-2-ylmethyl)-2-[(4-hydroxy-2,2-dimethylbutyl)amino]propanamide (PubChem CID 106146484) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(4-hydroxy-2,2-dimethylbutyl)amino]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(4-hydroxy-2,2-dimethylbutyl)amino]propanamide
PubChem CID106146484
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC NameN-(furan-2-ylmethyl)-2-[(4-hydroxy-2,2-dimethylbutyl)amino]propanamide
SMILESCC(NCC(C)(C)CCO)C(=O)NCc1ccco1
InChIInChI=1S/C14H24N2O3/c1-11(16-10-14(2,3)6-7-17)13(18)15-9-12-5-4-8-19-12/h4-5,8,11,16-17H,6-7,9-10H2,1-3H3,(H,15,18)
InChIKeyOLIUMSADXGNVHI-UHFFFAOYSA-N
XLogP1.28
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(dimethylamino)-2-methylpropyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 54940460
2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 106255709
N-(furan-2-ylmethyl)-2-(2,2,3,3-tetrafluoropropylamino)propanamide
CID 106291294
2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 106147403
N-(furan-2-ylmethyl)-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanamide
CID 106189742
2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466208
4-[4-(furan-2-yl)butan-2-ylamino]-3,3-dimethylbutan-1-ol
CID 103787562
2-(2-aminoethylamino)-N-(furan-2-ylmethyl)propanamide
CID 62139964
(2R)-2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)propanamide
CID 7437364
N-(furan-2-ylmethyl)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]propanamide
CID 104892008
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]propanamide
CID 43084593
2-[(2,3-dichlorophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide
CID 119129007

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(4-hydroxy-2,2-dimethylbutyl)amino]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(4-hydroxy-2,2-dimethylbutyl)amino]propanamide (CID 106146484) is N-(furan-2-ylmethyl)-2-[(4-hydroxy-2,2-dimethylbutyl)amino]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(4-hydroxy-2,2-dimethylbutyl)amino]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(4-hydroxy-2,2-dimethylbutyl)amino]propanamide is CC(NCC(C)(C)CCO)C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(4-hydroxy-2,2-dimethylbutyl)amino]propanamide?
The InChIKey is OLIUMSADXGNVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-11(16-10-14(2,3)6-7-17)13(18)15-9-12-5-4-8-19-12/h4-5,8,11,16-17H,6-7,9-10H2,1-3H3,(H,15,18).
What are the key properties of N-(furan-2-ylmethyl)-2-[(4-hydroxy-2,2-dimethylbutyl)amino]propanamide?
N-(furan-2-ylmethyl)-2-[(4-hydroxy-2,2-dimethylbutyl)amino]propanamide has a molecular weight of 268.36 g/mol, XLogP of 1.28, 8 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-[(4-hydroxy-2,2-dimethylbutyl)amino]propanamide is sourced from PubChem (CID 106146484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).