N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide

C17H20N2O4 — CID 110024390

IUPACN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide
SMILESCC(O)(CC(=O)NCC(=O)NCc1ccco1)c1ccccc1
InChIInChI=1S/C17H20N2O4/c1-17(22,13-6-3-2-4-7-13)10-15(20)19-12-16(21)18-11-14-8-5-9-23-14/h2-9,22H,10-12H2,1H3,(H,18,21)(H,19,20)
InChIKeyFMYGIDFBHRWIET-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.31
Rot. Bonds7

About N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide (PubChem CID 110024390) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide
PubChem CID110024390
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide
SMILESCC(O)(CC(=O)NCC(=O)NCc1ccco1)c1ccccc1
InChIInChI=1S/C17H20N2O4/c1-17(22,13-6-3-2-4-7-13)10-15(20)19-12-16(21)18-11-14-8-5-9-23-14/h2-9,22H,10-12H2,1H3,(H,18,21)(H,19,20)
InChIKeyFMYGIDFBHRWIET-UHFFFAOYSA-N
XLogP1.31
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-[2-oxo-2-(2-phenylethylamino)ethyl]-3-phenylbutanamide
CID 110025113
N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide
CID 110026477
2-(2-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 24550973
2-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]acetic acid
CID 82042115
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-naphthalen-2-ylacetamide
CID 17446251
3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392
N-(furan-2-ylmethyl)acetamide
CID 2394850
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylsulfanylpropanamide
CID 24550978
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 31638385
N-benzyl-2-(furan-2-ylmethylamino)acetamide
CID 43084380
N-[1-(furan-2-yl)ethyl]-3-hydroxy-3-phenylbutanamide
CID 110024356
2-[(2,6-dimethylphenyl)methylamino]-N-(furan-2-ylmethyl)acetamide
CID 75384925

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide?
The IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide (CID 110024390) is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide?
The canonical SMILES for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide is CC(O)(CC(=O)NCC(=O)NCc1ccco1)c1ccccc1.
What is the InChIKey of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide?
The InChIKey is FMYGIDFBHRWIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-17(22,13-6-3-2-4-7-13)10-15(20)19-12-16(21)18-11-14-8-5-9-23-14/h2-9,22H,10-12H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide?
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide has a molecular weight of 316.36 g/mol, XLogP of 1.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide is sourced from PubChem (CID 110024390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).