N-[2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide

C10H20N2O2 — CID 62659563

IUPACN-[2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide
SMILESCC(C)NCCNC(=O)C1CCOC1
InChIInChI=1S/C10H20N2O2/c1-8(2)11-4-5-12-10(13)9-3-6-14-7-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyYFHKAGOUSSFORR-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.14
Rot. Bonds5

About N-[2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide

N-[2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide (PubChem CID 62659563) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-[2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide
PubChem CID62659563
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC NameN-[2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide
SMILESCC(C)NCCNC(=O)C1CCOC1
InChIInChI=1S/C10H20N2O2/c1-8(2)11-4-5-12-10(13)9-3-6-14-7-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyYFHKAGOUSSFORR-UHFFFAOYSA-N
XLogP0.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-{4-[(Dimethylamino)methyl]-1-methylpyrrolidin-3-YL}-3-methoxypropanamide
CID 91922786
3-fluoro-N-propan-2-yloxolane-3-carboxamide
CID 131038892
(3S)-N-[(3R)-1,1-difluoropentan-3-yl]oxolane-3-carboxamide
CID 169194180
N-(2-aminoethyl)-N-(2,2-difluoroethyl)oxolane-3-carboxamide
CID 107493264
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-3-carboxamide;hydrochloride
CID 120813852
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-3-carboxamide
CID 120813853
3-fluoro-N-(2-methylcyclopropyl)oxolane-3-carboxamide
CID 126999452
3-fluoro-N-(1-fluoropropan-2-yl)oxolane-3-carboxamide
CID 130666897
N-(1-cyanoethyl)-3-fluorooxolane-3-carboxamide
CID 130685521
N-butan-2-yl-3-fluorooxolane-3-carboxamide
CID 130708318
N-(3-amino-4,4-difluoro-3-methylbutyl)oxolane-3-carboxamide
CID 165448652
N-(3-amino-1,1,1-trifluoropropan-2-yl)oxolane-3-carboxamide
CID 165448713

Frequently Asked Questions

What is the IUPAC name of N-[2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide?
The IUPAC name of N-[2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide (CID 62659563) is N-[2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide?
The canonical SMILES for N-[2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide is CC(C)NCCNC(=O)C1CCOC1.
What is the InChIKey of N-[2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide?
The InChIKey is YFHKAGOUSSFORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(2)11-4-5-12-10(13)9-3-6-14-7-9/h8-9,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N-[2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide?
N-[2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide has a molecular weight of 200.28 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 62659563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).