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

C16H24N2O2 — CID 114824116

IUPACN-(3-aminopropyl)-5-methyl-N-(3-methylphenyl)oxolane-3-carboxamide
SMILESCc1cccc(N(CCCN)C(=O)C2COC(C)C2)c1
InChIInChI=1S/C16H24N2O2/c1-12-5-3-6-15(9-12)18(8-4-7-17)16(19)14-10-13(2)20-11-14/h3,5-6,9,13-14H,4,7-8,10-11,17H2,1-2H3
InChIKeyWOGLIUHZFPUZCG-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.10
Rot. Bonds5

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

N-(3-aminopropyl)-5-methyl-N-(3-methylphenyl)oxolane-3-carboxamide (PubChem CID 114824116) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-methyl-N-(3-methylphenyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-methyl-N-(3-methylphenyl)oxolane-3-carboxamide
PubChem CID114824116
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(3-aminopropyl)-5-methyl-N-(3-methylphenyl)oxolane-3-carboxamide
SMILESCc1cccc(N(CCCN)C(=O)C2COC(C)C2)c1
InChIInChI=1S/C16H24N2O2/c1-12-5-3-6-15(9-12)18(8-4-7-17)16(19)14-10-13(2)20-11-14/h3,5-6,9,13-14H,4,7-8,10-11,17H2,1-2H3
InChIKeyWOGLIUHZFPUZCG-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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Related Compounds

N-(3-aminopropyl)-N-(3-methylphenyl)cyclohexanecarboxamide
CID 28766909
N-(3-aminopropyl)-5-methyl-N-(2-methylphenyl)oxolane-3-carboxamide
CID 114824117
N-(3-amino-3-sulfanylidenepropyl)-5-methyl-N-phenyloxolane-3-carboxamide
CID 114825574
N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)propanamide
CID 28766915
N-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)benzamide
CID 28766933
N-(3-aminopropyl)-1-methyl-N-(3-methylphenyl)cyclohexane-1-carboxamide
CID 106825939
N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 62677230
N-(3-aminopropyl)-2-ethoxy-N-(3-methylphenyl)acetamide
CID 43135951
N-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)furan-3-carboxamide
CID 43135957
N-(3-aminopropyl)-N-(3-methoxyphenyl)oxolane-3-carboxamide
CID 61271974
N-(3-aminopropyl)-3-fluoro-N-(3-methylphenyl)benzamide
CID 28766949
N-(3-aminopropyl)-N-(4-methylphenyl)cyclobutanecarboxamide
CID 43135948

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-methyl-N-(3-methylphenyl)oxolane-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-5-methyl-N-(3-methylphenyl)oxolane-3-carboxamide (CID 114824116) is N-(3-aminopropyl)-5-methyl-N-(3-methylphenyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-5-methyl-N-(3-methylphenyl)oxolane-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-5-methyl-N-(3-methylphenyl)oxolane-3-carboxamide is Cc1cccc(N(CCCN)C(=O)C2COC(C)C2)c1.
What is the InChIKey of N-(3-aminopropyl)-5-methyl-N-(3-methylphenyl)oxolane-3-carboxamide?
The InChIKey is WOGLIUHZFPUZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-5-3-6-15(9-12)18(8-4-7-17)16(19)14-10-13(2)20-11-14/h3,5-6,9,13-14H,4,7-8,10-11,17H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-5-methyl-N-(3-methylphenyl)oxolane-3-carboxamide?
N-(3-aminopropyl)-5-methyl-N-(3-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-(3-methylphenyl)oxolane-3-carboxamide is sourced from PubChem (CID 114824116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).