(3R)-N-[(2R)-heptan-2-yl]oxolane-3-carboxamide

C12H23NO2 — CID 95271153

IUPAC(3R)-N-[(2R)-heptan-2-yl]oxolane-3-carboxamide
SMILESCCCCC[C@@H](C)NC(=O)[C@@H]1CCOC1
InChIInChI=1S/C12H23NO2/c1-3-4-5-6-10(2)13-12(14)11-7-8-15-9-11/h10-11H,3-9H2,1-2H3,(H,13,14)/t10-,11-/m1/s1
InChIKeySRRBAGXXJFANTJ-GHMZBOCLSA-N
MW213.32 g/mol
LogP2.11
Rot. Bonds6

About (3R)-N-[(2R)-heptan-2-yl]oxolane-3-carboxamide

(3R)-N-[(2R)-heptan-2-yl]oxolane-3-carboxamide (PubChem CID 95271153) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (3R)-N-[(2R)-heptan-2-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-heptan-2-yl]oxolane-3-carboxamide
PubChem CID95271153
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(3R)-N-[(2R)-heptan-2-yl]oxolane-3-carboxamide
SMILESCCCCC[C@@H](C)NC(=O)[C@@H]1CCOC1
InChIInChI=1S/C12H23NO2/c1-3-4-5-6-10(2)13-12(14)11-7-8-15-9-11/h10-11H,3-9H2,1-2H3,(H,13,14)/t10-,11-/m1/s1
InChIKeySRRBAGXXJFANTJ-GHMZBOCLSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-N-[(2R)-heptan-2-yl]oxolane-3-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

2-(oxolane-3-carbonylamino)hexanoic acid
CID 61271265
N-heptan-2-ylcyclopentanecarboxamide
CID 5012700
N-heptan-2-yl-4-methylcyclohexane-1-carboxamide
CID 143290950
(3R)-N-(2,4-dimethylpentan-3-yl)oxolane-3-carboxamide
CID 169193374
1-N,3-N,5-N-tri(octan-2-yl)cyclohexane-1,3,5-tricarboxamide
CID 102292990
N-(4-amino-4-sulfanylidenebutan-2-yl)oxolane-3-carboxamide
CID 62093159
N-hex-1-yn-3-yloxolane-3-carboxamide
CID 103528440
N-(1-hydroxypentan-3-yl)oxolane-3-carboxamide
CID 115735205
N-hexan-2-ylcyclohexanecarboxamide
CID 174494551
N-heptan-2-ylcyclohex-3-ene-1-carboxamide
CID 134055913
N-(4-chlorobutan-2-yl)oxane-4-carboxamide
CID 83180658
N-(4-aminobutan-2-yl)oxane-4-carboxamide
CID 62905815

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-heptan-2-yl]oxolane-3-carboxamide?
The IUPAC name of (3R)-N-[(2R)-heptan-2-yl]oxolane-3-carboxamide (CID 95271153) is (3R)-N-[(2R)-heptan-2-yl]oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-heptan-2-yl]oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-heptan-2-yl]oxolane-3-carboxamide is CCCCC[C@@H](C)NC(=O)[C@@H]1CCOC1.
What is the InChIKey of (3R)-N-[(2R)-heptan-2-yl]oxolane-3-carboxamide?
The InChIKey is SRRBAGXXJFANTJ-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-4-5-6-10(2)13-12(14)11-7-8-15-9-11/h10-11H,3-9H2,1-2H3,(H,13,14)/t10-,11-/m1/s1.
What are the key properties of (3R)-N-[(2R)-heptan-2-yl]oxolane-3-carboxamide?
(3R)-N-[(2R)-heptan-2-yl]oxolane-3-carboxamide has a molecular weight of 213.32 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-heptan-2-yl]oxolane-3-carboxamide is sourced from PubChem (CID 95271153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).