N-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-methylfuran-2-carboxamide

C17H21NO3 — CID 99795330

IUPACN-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NC[C@@](C)(CO)Cc1ccccc1
InChIInChI=1S/C17H21NO3/c1-13-8-9-21-15(13)16(20)18-11-17(2,12-19)10-14-6-4-3-5-7-14/h3-9,19H,10-12H2,1-2H3,(H,18,20)/t17-/m0/s1
InChIKeyUQFVPXCNJWXVBK-KRWDZBQOSA-N
MW287.36 g/mol
LogP2.56
Rot. Bonds6

About N-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-methylfuran-2-carboxamide

N-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-methylfuran-2-carboxamide (PubChem CID 99795330) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-methylfuran-2-carboxamide
PubChem CID99795330
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NC[C@@](C)(CO)Cc1ccccc1
InChIInChI=1S/C17H21NO3/c1-13-8-9-21-15(13)16(20)18-11-17(2,12-19)10-14-6-4-3-5-7-14/h3-9,19H,10-12H2,1-2H3,(H,18,20)/t17-/m0/s1
InChIKeyUQFVPXCNJWXVBK-KRWDZBQOSA-N
XLogP2.56
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-methylfuran-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-(2-hydroxy-2-phenylpropyl)-3-methylfuran-2-carboxamide
CID 111335077
N-(2,2-difluoro-3-hydroxypropyl)-3-methylfuran-2-carboxamide
CID 104858004
N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-(cyclopropylmethoxy)benzamide
CID 119048160
3-methyl-N-[3-[[N'-methyl-N-(3-phenylpropyl)carbamimidoyl]amino]propyl]furan-2-carboxamide
CID 111773264
N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-[2-(dimethylamino)ethoxy]benzamide
CID 119048184
3-[(3-methylfuran-2-carbonyl)amino]-2-phenylpropanoic acid
CID 62883833
N-[(2R)-2-benzyl-3-hydroxy-2-methylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 124844932
(2S)-2-[(3-methylfuran-2-carbonyl)amino]-3-phenylpropanoic acid
CID 30049147
N-(cyanomethyl)-3-methylfuran-2-carboxamide
CID 60893946
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-methylfuran-2-carboxamide
CID 39302279
N-(2-benzylphenyl)-3-methylfuran-2-carboxamide
CID 51240617
N-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 124734628

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-methylfuran-2-carboxamide (CID 99795330) is N-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)NC[C@@](C)(CO)Cc1ccccc1.
What is the InChIKey of N-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-methylfuran-2-carboxamide?
The InChIKey is UQFVPXCNJWXVBK-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21NO3/c1-13-8-9-21-15(13)16(20)18-11-17(2,12-19)10-14-6-4-3-5-7-14/h3-9,19H,10-12H2,1-2H3,(H,18,20)/t17-/m0/s1.
What are the key properties of N-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-methylfuran-2-carboxamide?
N-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-methylfuran-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 99795330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).