N-[(2R)-3-ethyl-2-hydroxypentan-3-yl]benzamide

C14H21NO2 — CID 40534992

IUPACN-[(2R)-3-ethyl-2-hydroxypentan-3-yl]benzamide
SMILESCCC(CC)(NC(=O)c1ccccc1)[C@@H](C)O
InChIInChI=1S/C14H21NO2/c1-4-14(5-2,11(3)16)15-13(17)12-9-7-6-8-10-12/h6-11,16H,4-5H2,1-3H3,(H,15,17)/t11-/m1/s1
InChIKeyHAYCCRPJZDPEPE-LLVKDONJSA-N
MW235.33 g/mol
LogP2.36
Rot. Bonds5

About N-[(2R)-3-ethyl-2-hydroxypentan-3-yl]benzamide

N-[(2R)-3-ethyl-2-hydroxypentan-3-yl]benzamide (PubChem CID 40534992) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(2R)-3-ethyl-2-hydroxypentan-3-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-3-ethyl-2-hydroxypentan-3-yl]benzamide
PubChem CID40534992
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[(2R)-3-ethyl-2-hydroxypentan-3-yl]benzamide
SMILESCCC(CC)(NC(=O)c1ccccc1)[C@@H](C)O
InChIInChI=1S/C14H21NO2/c1-4-14(5-2,11(3)16)15-13(17)12-9-7-6-8-10-12/h6-11,16H,4-5H2,1-3H3,(H,15,17)/t11-/m1/s1
InChIKeyHAYCCRPJZDPEPE-LLVKDONJSA-N
XLogP2.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(2R)-3-ethyl-2-hydroxypentan-3-yl]benzamide 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-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 55209778
N-(4-methyl-2-phenylpentan-2-yl)benzamide
CID 91484527
2-benzamido-3,3,3-trifluoro-2-methylpropanoic acid
CID 79795990
N-(1,1-difluoro-2-methylsulfinylethyl)benzamide
CID 170534908
N-(1-(18F)fluoropropan-2-yl)(18F)benzamide
CID 177440113
ethyl (3S)-3-benzamido-2,2-difluoro-3-hydroxypropanoate
CID 2303395
ethyl (2R)-2-benzamido-2-di(propan-2-yloxy)phosphoryl-3,3,3-trifluoropropanoate
CID 7037347
N-(1-bromo-2-methylpropan-2-yl)benzamide
CID 114308136
(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
(2R)-2-benzamido-2-(hydroxymethyl)-3-methylbutanoate
CID 7010089
N-(2-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide
CID 113091749
benzohydrazide;propane
CID 90709051

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-ethyl-2-hydroxypentan-3-yl]benzamide?
The IUPAC name of N-[(2R)-3-ethyl-2-hydroxypentan-3-yl]benzamide (CID 40534992) is N-[(2R)-3-ethyl-2-hydroxypentan-3-yl]benzamide.
What is the SMILES notation for N-[(2R)-3-ethyl-2-hydroxypentan-3-yl]benzamide?
The canonical SMILES for N-[(2R)-3-ethyl-2-hydroxypentan-3-yl]benzamide is CCC(CC)(NC(=O)c1ccccc1)[C@@H](C)O.
What is the InChIKey of N-[(2R)-3-ethyl-2-hydroxypentan-3-yl]benzamide?
The InChIKey is HAYCCRPJZDPEPE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-14(5-2,11(3)16)15-13(17)12-9-7-6-8-10-12/h6-11,16H,4-5H2,1-3H3,(H,15,17)/t11-/m1/s1.
What are the key properties of N-[(2R)-3-ethyl-2-hydroxypentan-3-yl]benzamide?
N-[(2R)-3-ethyl-2-hydroxypentan-3-yl]benzamide has a molecular weight of 235.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-ethyl-2-hydroxypentan-3-yl]benzamide is sourced from PubChem (CID 40534992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).