N-(furan-2-ylmethyl)-3-hydroxy-2-phenyl-N-propan-2-ylpropanamide

C17H21NO3 — CID 154832743

IUPACN-(furan-2-ylmethyl)-3-hydroxy-2-phenyl-N-propan-2-ylpropanamide
SMILESCC(C)N(Cc1ccco1)C(=O)C(CO)c1ccccc1
InChIInChI=1S/C17H21NO3/c1-13(2)18(11-15-9-6-10-21-15)17(20)16(12-19)14-7-4-3-5-8-14/h3-10,13,16,19H,11-12H2,1-2H3
InChIKeyFXUMODQRCFDABX-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.79
Rot. Bonds6

About N-(furan-2-ylmethyl)-3-hydroxy-2-phenyl-N-propan-2-ylpropanamide

N-(furan-2-ylmethyl)-3-hydroxy-2-phenyl-N-propan-2-ylpropanamide (PubChem CID 154832743) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-hydroxy-2-phenyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-hydroxy-2-phenyl-N-propan-2-ylpropanamide
PubChem CID154832743
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-(furan-2-ylmethyl)-3-hydroxy-2-phenyl-N-propan-2-ylpropanamide
SMILESCC(C)N(Cc1ccco1)C(=O)C(CO)c1ccccc1
InChIInChI=1S/C17H21NO3/c1-13(2)18(11-15-9-6-10-21-15)17(20)16(12-19)14-7-4-3-5-8-14/h3-10,13,16,19H,11-12H2,1-2H3
InChIKeyFXUMODQRCFDABX-UHFFFAOYSA-N
XLogP2.79
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(furan-2-ylmethyl)-N-methyl-2-phenylpropanamide
CID 62878878
2-[[furan-2-ylmethyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 61198284
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide
CID 3886469
4-[[[furan-2-ylmethyl(propan-2-yl)carbamoyl]amino]methyl]benzoic acid
CID 122019561
1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)-3-phenylurea
CID 3244728
1-benzhydryl-3-(4-ethylphenyl)-1-(furan-2-ylmethyl)urea
CID 42709329
(2R)-2-chloro-N-(furan-2-ylmethyl)-N-methylpropanamide
CID 42554709
(2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide
CID 40538690
2-[acetyl(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 113160988
2-[furan-2-ylmethyl(methyl)amino]-1-phenylethanol
CID 3412322
2-[furan-2-ylmethyl(methyl)amino]butanoic acid
CID 43809005
N-benzhydryl-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 9333528

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-hydroxy-2-phenyl-N-propan-2-ylpropanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-hydroxy-2-phenyl-N-propan-2-ylpropanamide (CID 154832743) is N-(furan-2-ylmethyl)-3-hydroxy-2-phenyl-N-propan-2-ylpropanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-hydroxy-2-phenyl-N-propan-2-ylpropanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-hydroxy-2-phenyl-N-propan-2-ylpropanamide is CC(C)N(Cc1ccco1)C(=O)C(CO)c1ccccc1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-hydroxy-2-phenyl-N-propan-2-ylpropanamide?
The InChIKey is FXUMODQRCFDABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-13(2)18(11-15-9-6-10-21-15)17(20)16(12-19)14-7-4-3-5-8-14/h3-10,13,16,19H,11-12H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-3-hydroxy-2-phenyl-N-propan-2-ylpropanamide?
N-(furan-2-ylmethyl)-3-hydroxy-2-phenyl-N-propan-2-ylpropanamide has a molecular weight of 287.36 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-hydroxy-2-phenyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 154832743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).