N-(3-aminopropyl)-5-methyl-N-(2-methylphenyl)oxolane-3-carboxamide

C16H24N2O2 — CID 114824117

IUPACN-(3-aminopropyl)-5-methyl-N-(2-methylphenyl)oxolane-3-carboxamide
SMILESCc1ccccc1N(CCCN)C(=O)C1COC(C)C1
InChIInChI=1S/C16H24N2O2/c1-12-6-3-4-7-15(12)18(9-5-8-17)16(19)14-10-13(2)20-11-14/h3-4,6-7,13-14H,5,8-11,17H2,1-2H3
InChIKeyJHTNKELVNNUNSO-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.10
Rot. Bonds5

About N-(3-aminopropyl)-5-methyl-N-(2-methylphenyl)oxolane-3-carboxamide

N-(3-aminopropyl)-5-methyl-N-(2-methylphenyl)oxolane-3-carboxamide (PubChem CID 114824117) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-methyl-N-(2-methylphenyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-methyl-N-(2-methylphenyl)oxolane-3-carboxamide
PubChem CID114824117
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(3-aminopropyl)-5-methyl-N-(2-methylphenyl)oxolane-3-carboxamide
SMILESCc1ccccc1N(CCCN)C(=O)C1COC(C)C1
InChIInChI=1S/C16H24N2O2/c1-12-6-3-4-7-15(12)18(9-5-8-17)16(19)14-10-13(2)20-11-14/h3-4,6-7,13-14H,5,8-11,17H2,1-2H3
InChIKeyJHTNKELVNNUNSO-UHFFFAOYSA-N
XLogP2.10
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-methyl-N-(2-methylphenyl)oxolane-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-5-methyl-N-(2-methylphenyl)oxolane-3-carboxamide (CID 114824117) is N-(3-aminopropyl)-5-methyl-N-(2-methylphenyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-5-methyl-N-(2-methylphenyl)oxolane-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-5-methyl-N-(2-methylphenyl)oxolane-3-carboxamide is Cc1ccccc1N(CCCN)C(=O)C1COC(C)C1.
What is the InChIKey of N-(3-aminopropyl)-5-methyl-N-(2-methylphenyl)oxolane-3-carboxamide?
The InChIKey is JHTNKELVNNUNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-6-3-4-7-15(12)18(9-5-8-17)16(19)14-10-13(2)20-11-14/h3-4,6-7,13-14H,5,8-11,17H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-5-methyl-N-(2-methylphenyl)oxolane-3-carboxamide?
N-(3-aminopropyl)-5-methyl-N-(2-methylphenyl)oxolane-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-methyl-N-(2-methylphenyl)oxolane-3-carboxamide is sourced from PubChem (CID 114824117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).