3-[(5-methyloxolan-2-yl)methylamino]-N-propylbenzamide

C16H24N2O2 — CID 82833688

IUPAC3-[(5-methyloxolan-2-yl)methylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCC2CCC(C)O2)c1
InChIInChI=1S/C16H24N2O2/c1-3-9-17-16(19)13-5-4-6-14(10-13)18-11-15-8-7-12(2)20-15/h4-6,10,12,15,18H,3,7-9,11H2,1-2H3,(H,17,19)
InChIKeyRHDQXFAVJWPQBH-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.81
Rot. Bonds6

About 3-[(5-methyloxolan-2-yl)methylamino]-N-propylbenzamide

3-[(5-methyloxolan-2-yl)methylamino]-N-propylbenzamide (PubChem CID 82833688) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[(5-methyloxolan-2-yl)methylamino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[(5-methyloxolan-2-yl)methylamino]-N-propylbenzamide
PubChem CID82833688
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-[(5-methyloxolan-2-yl)methylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCC2CCC(C)O2)c1
InChIInChI=1S/C16H24N2O2/c1-3-9-17-16(19)13-5-4-6-14(10-13)18-11-15-8-7-12(2)20-15/h4-6,10,12,15,18H,3,7-9,11H2,1-2H3,(H,17,19)
InChIKeyRHDQXFAVJWPQBH-UHFFFAOYSA-N
XLogP2.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[(5-methyloxolan-2-yl)methylamino]benzoate
CID 82834519
3-(ethylamino)-N-propylbenzamide
CID 43676038
3-[(1-methylpiperidin-3-yl)methylamino]-N-propylbenzamide
CID 62654182
3-[(3,5-dimethylcyclohexyl)amino]-N-propylbenzamide
CID 64752912
3-[[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-propylbenzamide
CID 54838784
3-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide
CID 60537196
4-methyl-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 63713940
3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838807
3-[(4-methylphenyl)methylamino]-N-propylbenzamide
CID 43675970
3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride
CID 119283116
3-[(4-fluorophenyl)methylamino]-N-propylbenzamide
CID 43675966
3-(3-phenylpropylamino)-N-propylbenzamide
CID 78885469

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyloxolan-2-yl)methylamino]-N-propylbenzamide?
The IUPAC name of 3-[(5-methyloxolan-2-yl)methylamino]-N-propylbenzamide (CID 82833688) is 3-[(5-methyloxolan-2-yl)methylamino]-N-propylbenzamide.
What is the SMILES notation for 3-[(5-methyloxolan-2-yl)methylamino]-N-propylbenzamide?
The canonical SMILES for 3-[(5-methyloxolan-2-yl)methylamino]-N-propylbenzamide is CCCNC(=O)c1cccc(NCC2CCC(C)O2)c1.
What is the InChIKey of 3-[(5-methyloxolan-2-yl)methylamino]-N-propylbenzamide?
The InChIKey is RHDQXFAVJWPQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-9-17-16(19)13-5-4-6-14(10-13)18-11-15-8-7-12(2)20-15/h4-6,10,12,15,18H,3,7-9,11H2,1-2H3,(H,17,19).
What are the key properties of 3-[(5-methyloxolan-2-yl)methylamino]-N-propylbenzamide?
3-[(5-methyloxolan-2-yl)methylamino]-N-propylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyloxolan-2-yl)methylamino]-N-propylbenzamide is sourced from PubChem (CID 82833688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).