4-amino-N-pentyl-N-propan-2-yloxolane-3-carboxamide

C13H26N2O2 — CID 66238860

IUPAC4-amino-N-pentyl-N-propan-2-yloxolane-3-carboxamide
SMILESCCCCCN(C(=O)C1COCC1N)C(C)C
InChIInChI=1S/C13H26N2O2/c1-4-5-6-7-15(10(2)3)13(16)11-8-17-9-12(11)14/h10-12H,4-9,14H2,1-3H3
InChIKeyXLCCMPZTSPZQJN-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.39
Rot. Bonds6

About 4-amino-N-pentyl-N-propan-2-yloxolane-3-carboxamide

4-amino-N-pentyl-N-propan-2-yloxolane-3-carboxamide (PubChem CID 66238860) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-amino-N-pentyl-N-propan-2-yloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-pentyl-N-propan-2-yloxolane-3-carboxamide
PubChem CID66238860
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-amino-N-pentyl-N-propan-2-yloxolane-3-carboxamide
SMILESCCCCCN(C(=O)C1COCC1N)C(C)C
InChIInChI=1S/C13H26N2O2/c1-4-5-6-7-15(10(2)3)13(16)11-8-17-9-12(11)14/h10-12H,4-9,14H2,1-3H3
InChIKeyXLCCMPZTSPZQJN-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-ethyl-N-propan-2-yloxolane-3-carboxamide
CID 66238409
4-amino-N-(2-hydroxyethyl)-N-pentan-3-yloxolane-3-carboxamide
CID 66236680
4-amino-2-methyl-N-pentyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 62782228
4-amino-N-(2-methylpropyl)-N-pentan-3-yloxolane-3-carboxamide
CID 79490741
4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyloxolane-3-carboxamide
CID 103188603
4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 66239061
2-[(4-aminooxolane-3-carbonyl)-propylamino]acetic acid
CID 66235465
4-amino-N-ethyl-N-methyloxolane-3-carboxamide
CID 66238406
3-amino-N-pentyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 62776661
4-amino-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yloxolane-3-carboxamide
CID 66237454
4-amino-N-hexyloxolane-3-carboxamide
CID 66238816
4-amino-N-cyclopropyl-N-(2-methylpropyl)oxolane-3-carboxamide
CID 66239455

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-pentyl-N-propan-2-yloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-pentyl-N-propan-2-yloxolane-3-carboxamide (CID 66238860) is 4-amino-N-pentyl-N-propan-2-yloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-pentyl-N-propan-2-yloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-pentyl-N-propan-2-yloxolane-3-carboxamide is CCCCCN(C(=O)C1COCC1N)C(C)C.
What is the InChIKey of 4-amino-N-pentyl-N-propan-2-yloxolane-3-carboxamide?
The InChIKey is XLCCMPZTSPZQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-5-6-7-15(10(2)3)13(16)11-8-17-9-12(11)14/h10-12H,4-9,14H2,1-3H3.
What are the key properties of 4-amino-N-pentyl-N-propan-2-yloxolane-3-carboxamide?
4-amino-N-pentyl-N-propan-2-yloxolane-3-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-pentyl-N-propan-2-yloxolane-3-carboxamide is sourced from PubChem (CID 66238860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).