N-benzyl-N-propan-2-yl-1,3-benzodioxole-5-carboxamide

C18H19NO3 — CID 2813483

IUPACN-benzyl-N-propan-2-yl-1,3-benzodioxole-5-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H19NO3/c1-13(2)19(11-14-6-4-3-5-7-14)18(20)15-8-9-16-17(10-15)22-12-21-16/h3-10,13H,11-12H2,1-2H3
InChIKeyGTQHUTNBFUACLV-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.47
Rot. Bonds4

About N-benzyl-N-propan-2-yl-1,3-benzodioxole-5-carboxamide

N-benzyl-N-propan-2-yl-1,3-benzodioxole-5-carboxamide (PubChem CID 2813483) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-benzyl-N-propan-2-yl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-propan-2-yl-1,3-benzodioxole-5-carboxamide
PubChem CID2813483
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-benzyl-N-propan-2-yl-1,3-benzodioxole-5-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H19NO3/c1-13(2)19(11-14-6-4-3-5-7-14)18(20)15-8-9-16-17(10-15)22-12-21-16/h3-10,13H,11-12H2,1-2H3
InChIKeyGTQHUTNBFUACLV-UHFFFAOYSA-N
XLogP3.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)-N-[(4-phenylmethoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 42657111
N-benzhydryl-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 42709511
N-benzyl-3-bromo-4-methyl-N-propan-2-ylbenzamide
CID 81457215
N-benzyl-3,4-dimethoxy-N-propan-2-ylbenzamide
CID 807482
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 55552023
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 788859
1-(1,3-benzodioxol-5-yl)-3-methyl-4-phenylbutan-1-one
CID 150018494
N-benzyl-4-fluoro-N-propan-2-yl-3-sulfanylbenzamide
CID 107020657
N-[[2-benzylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-propan-2-yl-1,3-benzodioxole-5-carboxamide
CID 42824361
4-N-benzyl-1-N-methyl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109048603
N,N-bis(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 4668559
N-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 42776672

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propan-2-yl-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-benzyl-N-propan-2-yl-1,3-benzodioxole-5-carboxamide (CID 2813483) is N-benzyl-N-propan-2-yl-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-benzyl-N-propan-2-yl-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-benzyl-N-propan-2-yl-1,3-benzodioxole-5-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-benzyl-N-propan-2-yl-1,3-benzodioxole-5-carboxamide?
The InChIKey is GTQHUTNBFUACLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13(2)19(11-14-6-4-3-5-7-14)18(20)15-8-9-16-17(10-15)22-12-21-16/h3-10,13H,11-12H2,1-2H3.
What are the key properties of N-benzyl-N-propan-2-yl-1,3-benzodioxole-5-carboxamide?
N-benzyl-N-propan-2-yl-1,3-benzodioxole-5-carboxamide has a molecular weight of 297.35 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propan-2-yl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 2813483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).