N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[2,6-di(propan-2-yl)phenyl]formamide

C21H24N2O4 — CID 22245855

IUPACN-(1,3-benzodioxol-5-ylcarbamoyl)-N-[2,6-di(propan-2-yl)phenyl]formamide
SMILESCC(C)c1cccc(C(C)C)c1N(C=O)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C21H24N2O4/c1-13(2)16-6-5-7-17(14(3)4)20(16)23(11-24)21(25)22-15-8-9-18-19(10-15)27-12-26-18/h5-11,13-14H,12H2,1-4H3,(H,22,25)
InChIKeyXEBVOQYJRAVWGB-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.86
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[2,6-di(propan-2-yl)phenyl]formamide

N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[2,6-di(propan-2-yl)phenyl]formamide (PubChem CID 22245855) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[2,6-di(propan-2-yl)phenyl]formamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylcarbamoyl)-N-[2,6-di(propan-2-yl)phenyl]formamide
PubChem CID22245855
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-(1,3-benzodioxol-5-ylcarbamoyl)-N-[2,6-di(propan-2-yl)phenyl]formamide
SMILESCC(C)c1cccc(C(C)C)c1N(C=O)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C21H24N2O4/c1-13(2)16-6-5-7-17(14(3)4)20(16)23(11-24)21(25)22-15-8-9-18-19(10-15)27-12-26-18/h5-11,13-14H,12H2,1-4H3,(H,22,25)
InChIKeyXEBVOQYJRAVWGB-UHFFFAOYSA-N
XLogP4.86
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)formamide
CID 87890859
1-(1,3-benzodioxol-5-yl)-3-(2-propan-2-ylphenyl)urea
CID 17375783
N-(1,3-benzodioxol-5-ylcarbamoyl)-N-(5-iodo-2-methylphenyl)formamide
CID 22245940
N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-(trifluoromethyl)phenyl]formamide
CID 22245929
1-N-(1,3-benzodioxol-5-yl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982189
(2R)-N-(1,3-benzodioxol-5-yl)-2-hydroxypropanamide
CID 94681442
N-(3-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)formamide
CID 22647661
N-(1,3-benzodioxol-5-yl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109268185
1-(1,3-benzodioxol-5-ylcarbamoyl)-1,3-dimethylurea
CID 12876416
(2S)-2-amino-N-(1,3-benzodioxol-5-yl)propanamide
CID 22690584
N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide
CID 22245951
N-(1,3-benzodioxol-5-yl)-N-[(3-chloro-4-methoxyphenyl)carbamoyl]formamide
CID 87890643

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[2,6-di(propan-2-yl)phenyl]formamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[2,6-di(propan-2-yl)phenyl]formamide (CID 22245855) is N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[2,6-di(propan-2-yl)phenyl]formamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[2,6-di(propan-2-yl)phenyl]formamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[2,6-di(propan-2-yl)phenyl]formamide is CC(C)c1cccc(C(C)C)c1N(C=O)C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[2,6-di(propan-2-yl)phenyl]formamide?
The InChIKey is XEBVOQYJRAVWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-13(2)16-6-5-7-17(14(3)4)20(16)23(11-24)21(25)22-15-8-9-18-19(10-15)27-12-26-18/h5-11,13-14H,12H2,1-4H3,(H,22,25).
What are the key properties of N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[2,6-di(propan-2-yl)phenyl]formamide?
N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[2,6-di(propan-2-yl)phenyl]formamide has a molecular weight of 368.43 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[2,6-di(propan-2-yl)phenyl]formamide is sourced from PubChem (CID 22245855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).