4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methyloxolane-3-carboxamide

C15H22N2O3 — CID 66250442

IUPAC4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methyloxolane-3-carboxamide
SMILESCC1(C(=O)N(CCO)Cc2ccccc2)COCC1N
InChIInChI=1S/C15H22N2O3/c1-15(11-20-10-13(15)16)14(19)17(7-8-18)9-12-5-3-2-4-6-12/h2-6,13,18H,7-11,16H2,1H3
InChIKeyUJQXERJUZRXWEU-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.37
Rot. Bonds5

About 4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methyloxolane-3-carboxamide

4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methyloxolane-3-carboxamide (PubChem CID 66250442) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methyloxolane-3-carboxamide
PubChem CID66250442
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methyloxolane-3-carboxamide
SMILESCC1(C(=O)N(CCO)Cc2ccccc2)COCC1N
InChIInChI=1S/C15H22N2O3/c1-15(11-20-10-13(15)16)14(19)17(7-8-18)9-12-5-3-2-4-6-12/h2-6,13,18H,7-11,16H2,1H3
InChIKeyUJQXERJUZRXWEU-UHFFFAOYSA-N
XLogP0.37
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-benzyl-N-cyclopropyl-3-methyloxolane-3-carboxamide
CID 66250990
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
4-amino-N-(2-methoxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 66249657
3-phenylpropyl 4-amino-3-methyloxolane-3-carboxylate
CID 66249748
4-amino-N-(2-hydroxyethyl)-3-methyl-N-propan-2-yloxolane-3-carboxamide
CID 66248252
1-amino-N-benzyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;hydrochloride
CID 171338056
4-amino-N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]oxolane-3-carboxamide
CID 66249851
4-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methyloxolane-3-carboxamide
CID 66263893
1-amino-N-benzyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 54870816
N-benzyl-1-carbamothioyl-N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide
CID 80591899
1-(aminomethyl)-N-benzyl-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 62115129

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methyloxolane-3-carboxamide (CID 66250442) is 4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methyloxolane-3-carboxamide is CC1(C(=O)N(CCO)Cc2ccccc2)COCC1N.
What is the InChIKey of 4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methyloxolane-3-carboxamide?
The InChIKey is UJQXERJUZRXWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(11-20-10-13(15)16)14(19)17(7-8-18)9-12-5-3-2-4-6-12/h2-6,13,18H,7-11,16H2,1H3.
What are the key properties of 4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methyloxolane-3-carboxamide?
4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methyloxolane-3-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 66250442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).