(2S)-2-methyl-N-(oxan-4-ylmethyl)pentanamide

C12H23NO2 — CID 99739825

IUPAC(2S)-2-methyl-N-(oxan-4-ylmethyl)pentanamide
SMILESCCC[C@H](C)C(=O)NCC1CCOCC1
InChIInChI=1S/C12H23NO2/c1-3-4-10(2)12(14)13-9-11-5-7-15-8-6-11/h10-11H,3-9H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyANXXLAHMICHGLM-JTQLQIEISA-N
MW213.32 g/mol
LogP1.97
Rot. Bonds5

About (2S)-2-methyl-N-(oxan-4-ylmethyl)pentanamide

(2S)-2-methyl-N-(oxan-4-ylmethyl)pentanamide (PubChem CID 99739825) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (2S)-2-methyl-N-(oxan-4-ylmethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-(oxan-4-ylmethyl)pentanamide
PubChem CID99739825
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(2S)-2-methyl-N-(oxan-4-ylmethyl)pentanamide
SMILESCCC[C@H](C)C(=O)NCC1CCOCC1
InChIInChI=1S/C12H23NO2/c1-3-4-10(2)12(14)13-9-11-5-7-15-8-6-11/h10-11H,3-9H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyANXXLAHMICHGLM-JTQLQIEISA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-methyl-N-(oxan-4-ylmethyl)pentanamide 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-butoxypropyl)cyclohexanecarboxamide
CID 2289748
N-Methyl-N-[(oxan-4-YL)methyl]pentanamide
CID 91915004
N-Cyclohexyltetrahydro-2H-pyran-4-carboxamide
CID 60656377
N-(3-ethoxypropyl)oxane-4-carboxamide
CID 51073129
N-(2-methylcyclohexyl)oxane-4-carboxamide
CID 51073130
N-(cyclopentylmethyl)oxane-4-carboxamide
CID 53512699
2-(Aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 75494909
2-Cyclopentyl-N-[(oxan-4-YL)methyl]acetamide
CID 91905157
(2S)-2-methyl-N-[(4-methyloxan-4-yl)methyl]pentanamide
CID 99740333
3-methyl-N-[(3S)-7-oxaspiro[3.5]nonan-3-yl]butanamide
CID 164634508
N-methyl-3-(oxan-4-yl)propanamide
CID 108468649
4-(Butoxymethyl)-3,3-difluoropiperidin-2-one
CID 46177421

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-(oxan-4-ylmethyl)pentanamide?
The IUPAC name of (2S)-2-methyl-N-(oxan-4-ylmethyl)pentanamide (CID 99739825) is (2S)-2-methyl-N-(oxan-4-ylmethyl)pentanamide.
What is the SMILES notation for (2S)-2-methyl-N-(oxan-4-ylmethyl)pentanamide?
The canonical SMILES for (2S)-2-methyl-N-(oxan-4-ylmethyl)pentanamide is CCC[C@H](C)C(=O)NCC1CCOCC1.
What is the InChIKey of (2S)-2-methyl-N-(oxan-4-ylmethyl)pentanamide?
The InChIKey is ANXXLAHMICHGLM-JTQLQIEISA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-4-10(2)12(14)13-9-11-5-7-15-8-6-11/h10-11H,3-9H2,1-2H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-2-methyl-N-(oxan-4-ylmethyl)pentanamide?
(2S)-2-methyl-N-(oxan-4-ylmethyl)pentanamide has a molecular weight of 213.32 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-(oxan-4-ylmethyl)pentanamide is sourced from PubChem (CID 99739825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).