N-heptan-2-yl-4-(methylamino)oxolane-3-carboxamide

C13H26N2O2 — CID 66267744

IUPACN-heptan-2-yl-4-(methylamino)oxolane-3-carboxamide
SMILESCCCCCC(C)NC(=O)C1COCC1NC
InChIInChI=1S/C13H26N2O2/c1-4-5-6-7-10(2)15-13(16)11-8-17-9-12(11)14-3/h10-12,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyGPPNIQDTDXTWQA-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.31
Rot. Bonds7

About N-heptan-2-yl-4-(methylamino)oxolane-3-carboxamide

N-heptan-2-yl-4-(methylamino)oxolane-3-carboxamide (PubChem CID 66267744) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-heptan-2-yl-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-heptan-2-yl-4-(methylamino)oxolane-3-carboxamide
PubChem CID66267744
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-heptan-2-yl-4-(methylamino)oxolane-3-carboxamide
SMILESCCCCCC(C)NC(=O)C1COCC1NC
InChIInChI=1S/C13H26N2O2/c1-4-5-6-7-10(2)15-13(16)11-8-17-9-12(11)14-3/h10-12,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyGPPNIQDTDXTWQA-UHFFFAOYSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-heptan-2-yl-4-(methylamino)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

N-hexyl-4-(methylamino)oxolane-3-carboxamide
CID 66266175
4-(methylamino)-N-(4-phenylbutan-2-yl)oxolane-3-carboxamide
CID 66265448
1-[4-(methylamino)oxolan-3-yl]octan-1-one
CID 116561320
N-(1-hydroxy-3-methylbutan-2-yl)-4-(methylamino)oxolane-3-carboxamide
CID 79249718
4-(ethylamino)-N-(4-hydroxybutan-2-yl)oxolane-3-carboxamide
CID 83177200
4-(ethylamino)-N-(1-methylsulfonylpropan-2-yl)oxolane-3-carboxamide
CID 66259891
2-(heptan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60791589
(3R)-N-[(2R)-heptan-2-yl]oxolane-3-carboxamide
CID 95271153
(2R)-3-hydroxy-2-[[4-(methylamino)oxolane-3-carbonyl]amino]propanoic acid
CID 80750308
4-(methylamino)-N-[1-(2-methylphenyl)propan-2-yl]oxolane-3-carboxamide
CID 66266793
cis-(1S,2R)-2-[[(2S)-heptan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 40579347
N-propan-2-yl-4-(propylamino)oxolane-3-carboxamide
CID 66254772

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-heptan-2-yl-4-(methylamino)oxolane-3-carboxamide (CID 66267744) is N-heptan-2-yl-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-heptan-2-yl-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-heptan-2-yl-4-(methylamino)oxolane-3-carboxamide is CCCCCC(C)NC(=O)C1COCC1NC.
What is the InChIKey of N-heptan-2-yl-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is GPPNIQDTDXTWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-5-6-7-10(2)15-13(16)11-8-17-9-12(11)14-3/h10-12,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of N-heptan-2-yl-4-(methylamino)oxolane-3-carboxamide?
N-heptan-2-yl-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66267744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).