N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-5-(methoxymethyl)furan-2-carboxamide

C17H21NO4 — CID 97019509

IUPACN-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)N[C@@H](C)C[C@@H](O)c2ccccc2)o1
InChIInChI=1S/C17H21NO4/c1-12(10-15(19)13-6-4-3-5-7-13)18-17(20)16-9-8-14(22-16)11-21-2/h3-9,12,15,19H,10-11H2,1-2H3,(H,18,20)/t12-,15+/m0/s1
InChIKeyBRBFKYQGHYVANI-SWLSCSKDSA-N
MW303.36 g/mol
LogP2.67
Rot. Bonds7

About N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-5-(methoxymethyl)furan-2-carboxamide

N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-5-(methoxymethyl)furan-2-carboxamide (PubChem CID 97019509) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-5-(methoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-5-(methoxymethyl)furan-2-carboxamide
PubChem CID97019509
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC NameN-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)N[C@@H](C)C[C@@H](O)c2ccccc2)o1
InChIInChI=1S/C17H21NO4/c1-12(10-15(19)13-6-4-3-5-7-13)18-17(20)16-9-8-14(22-16)11-21-2/h3-9,12,15,19H,10-11H2,1-2H3,(H,18,20)/t12-,15+/m0/s1
InChIKeyBRBFKYQGHYVANI-SWLSCSKDSA-N
XLogP2.67
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-5-(methoxymethyl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-hydroxy-4-phenylbutan-2-yl)-5-nitrofuran-2-carboxamide
CID 75381752
N-[1-(3-bromophenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 86925221
5-(methoxymethyl)-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]furan-2-carboxamide
CID 124751971
5-(methoxymethyl)-N-[2-(propan-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 78865416
N-(1-amino-4-methylpentan-2-yl)-5-(methoxymethyl)furan-2-carboxamide;hydrochloride
CID 119585925
3-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid
CID 120541443
5-(methoxymethyl)-N-phenylmethoxyfuran-2-carboxamide
CID 78827585
2-cyclopropyl-2-[[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid
CID 119213623
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78824798
N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-4-methylthiophene-3-carboxamide
CID 97228127
N-[(2R)-2-(ethylamino)propyl]-5-(methoxymethyl)furan-2-carboxamide
CID 120650443
N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-3-(5-methylfuran-2-yl)propanamide
CID 97071411

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-5-(methoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-5-(methoxymethyl)furan-2-carboxamide (CID 97019509) is N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-5-(methoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-5-(methoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-5-(methoxymethyl)furan-2-carboxamide is COCc1ccc(C(=O)N[C@@H](C)C[C@@H](O)c2ccccc2)o1.
What is the InChIKey of N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-5-(methoxymethyl)furan-2-carboxamide?
The InChIKey is BRBFKYQGHYVANI-SWLSCSKDSA-N. The full InChI is InChI=1S/C17H21NO4/c1-12(10-15(19)13-6-4-3-5-7-13)18-17(20)16-9-8-14(22-16)11-21-2/h3-9,12,15,19H,10-11H2,1-2H3,(H,18,20)/t12-,15+/m0/s1.
What are the key properties of N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-5-(methoxymethyl)furan-2-carboxamide?
N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-5-(methoxymethyl)furan-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-5-(methoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 97019509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).