N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]oxolane-2-carboxamide

C16H22N2O4 — CID 110287448

IUPACN-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]oxolane-2-carboxamide
SMILESCN(C)C(CNC(=O)C1CCCO1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H22N2O4/c1-18(2)12(9-17-16(19)14-4-3-7-20-14)11-5-6-13-15(8-11)22-10-21-13/h5-6,8,12,14H,3-4,7,9-10H2,1-2H3,(H,17,19)
InChIKeyYNSLRJMMHKZCLZ-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.31
Rot. Bonds5

About N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]oxolane-2-carboxamide

N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]oxolane-2-carboxamide (PubChem CID 110287448) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]oxolane-2-carboxamide
PubChem CID110287448
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]oxolane-2-carboxamide
SMILESCN(C)C(CNC(=O)C1CCCO1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H22N2O4/c1-18(2)12(9-17-16(19)14-4-3-7-20-14)11-5-6-13-15(8-11)22-10-21-13/h5-6,8,12,14H,3-4,7,9-10H2,1-2H3,(H,17,19)
InChIKeyYNSLRJMMHKZCLZ-UHFFFAOYSA-N
XLogP1.31
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-3,4-dichlorobenzamide
CID 110287451
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 42456370
N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110626566
1-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-3-(2-methoxyethyl)urea
CID 110306573
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-3,4-dimethoxybenzamide
CID 42456106
3-(1,3-benzodioxol-5-yl)-3-(dimethylamino)propanoic acid
CID 64528353
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 42455962
N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 110626565
N-(2-phenylbutyl)oxolane-2-carboxamide
CID 78800794
N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-3-tert-butyl-5-methyl-1,2-oxazole-4-carboxamide
CID 110427593
N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-4-(2-methylphenyl)butanamide
CID 110427605
1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-2-pyrrolidin-2-ylethanamine
CID 116906661

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]oxolane-2-carboxamide (CID 110287448) is N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]oxolane-2-carboxamide is CN(C)C(CNC(=O)C1CCCO1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]oxolane-2-carboxamide?
The InChIKey is YNSLRJMMHKZCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-18(2)12(9-17-16(19)14-4-3-7-20-14)11-5-6-13-15(8-11)22-10-21-13/h5-6,8,12,14H,3-4,7,9-10H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]oxolane-2-carboxamide?
N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]oxolane-2-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 110287448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).