4-amino-N-benzyl-N-cyclopropyl-3-methyloxolane-3-carboxamide

C16H22N2O2 — CID 66250990

IUPAC4-amino-N-benzyl-N-cyclopropyl-3-methyloxolane-3-carboxamide
SMILESCC1(C(=O)N(Cc2ccccc2)C2CC2)COCC1N
InChIInChI=1S/C16H22N2O2/c1-16(11-20-10-14(16)17)15(19)18(13-7-8-13)9-12-5-3-2-4-6-12/h2-6,13-14H,7-11,17H2,1H3
InChIKeyJPDVGFWCVQJCNL-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.54
Rot. Bonds4

About 4-amino-N-benzyl-N-cyclopropyl-3-methyloxolane-3-carboxamide

4-amino-N-benzyl-N-cyclopropyl-3-methyloxolane-3-carboxamide (PubChem CID 66250990) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-amino-N-benzyl-N-cyclopropyl-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-benzyl-N-cyclopropyl-3-methyloxolane-3-carboxamide
PubChem CID66250990
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name4-amino-N-benzyl-N-cyclopropyl-3-methyloxolane-3-carboxamide
SMILESCC1(C(=O)N(Cc2ccccc2)C2CC2)COCC1N
InChIInChI=1S/C16H22N2O2/c1-16(11-20-10-14(16)17)15(19)18(13-7-8-13)9-12-5-3-2-4-6-12/h2-6,13-14H,7-11,17H2,1H3
InChIKeyJPDVGFWCVQJCNL-UHFFFAOYSA-N
XLogP1.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methyloxolane-3-carboxamide
CID 66250442
4-amino-N,3-dimethyl-N-(3-phenylpropyl)oxolane-3-carboxamide
CID 66249430
4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-3-methyloxolane-3-carboxamide
CID 66248643
3-phenylpropyl 4-amino-3-methyloxolane-3-carboxylate
CID 66249748
4-amino-N-ethyl-3-methyl-N-(2-methylphenyl)oxolane-3-carboxamide
CID 66250388
4-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methyloxolane-3-carboxamide
CID 66263893
4-amino-N-[2-(dimethylamino)-1-phenylethyl]-3-methyloxolane-3-carboxamide
CID 66250851
4-amino-3-methyl-N-(3-phenylmethoxypropyl)oxolane-3-carboxamide
CID 66251047
(4-amino-3-methyloxolan-3-yl)-(4-ethylphenyl)methanone
CID 116563259
(4-amino-3-methyloxolan-3-yl)-(4-phenylpiperidin-1-yl)methanone
CID 66250245
1-benzyl-1-cyclopropyl-3-ethylurea
CID 127578302
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methyloxolane-3-carboxamide
CID 66263890

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-N-cyclopropyl-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-benzyl-N-cyclopropyl-3-methyloxolane-3-carboxamide (CID 66250990) is 4-amino-N-benzyl-N-cyclopropyl-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-benzyl-N-cyclopropyl-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-benzyl-N-cyclopropyl-3-methyloxolane-3-carboxamide is CC1(C(=O)N(Cc2ccccc2)C2CC2)COCC1N.
What is the InChIKey of 4-amino-N-benzyl-N-cyclopropyl-3-methyloxolane-3-carboxamide?
The InChIKey is JPDVGFWCVQJCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(11-20-10-14(16)17)15(19)18(13-7-8-13)9-12-5-3-2-4-6-12/h2-6,13-14H,7-11,17H2,1H3.
What are the key properties of 4-amino-N-benzyl-N-cyclopropyl-3-methyloxolane-3-carboxamide?
4-amino-N-benzyl-N-cyclopropyl-3-methyloxolane-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-N-cyclopropyl-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 66250990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).