N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylcarbamoylamino)acetamide

C14H19N3O4 — CID 110606306

IUPACN-(1,3-benzodioxol-5-yl)-2-(2-methylpropylcarbamoylamino)acetamide
SMILESCC(C)CNC(=O)NCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C14H19N3O4/c1-9(2)6-15-14(19)16-7-13(18)17-10-3-4-11-12(5-10)21-8-20-11/h3-5,9H,6-8H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyCTKYTNKPWZFQPJ-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.31
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylcarbamoylamino)acetamide

N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylcarbamoylamino)acetamide (PubChem CID 110606306) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(2-methylpropylcarbamoylamino)acetamide
PubChem CID110606306
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(2-methylpropylcarbamoylamino)acetamide
SMILESCC(C)CNC(=O)NCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C14H19N3O4/c1-9(2)6-15-14(19)16-7-13(18)17-10-3-4-11-12(5-10)21-8-20-11/h3-5,9H,6-8H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyCTKYTNKPWZFQPJ-UHFFFAOYSA-N
XLogP1.31
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylamino)acetamide
CID 2560584
3-(1,3-benzodioxol-5-ylcarbamoylamino)-2-methylpropanoic acid
CID 62669555
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2-dimethylpropylcarbamoylamino)acetamide
CID 110673536
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-(4-fluorophenyl)butanamide
CID 110619456
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 110606294
N-(1,3-benzodioxol-5-yl)-3-(propylcarbamoylamino)propanamide
CID 110370646
N-(1,3-benzodioxol-5-yl)-2-methylsulfanylacetamide
CID 8700974
N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-yloxyanilino)acetamide
CID 109009383
2-[acetyl(2-methylpropyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113158977
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 27648551
N-(1,3-benzodioxol-5-yl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8918206
(E)-N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide
CID 110606299

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylcarbamoylamino)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylcarbamoylamino)acetamide (CID 110606306) is N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylcarbamoylamino)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylcarbamoylamino)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylcarbamoylamino)acetamide is CC(C)CNC(=O)NCC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylcarbamoylamino)acetamide?
The InChIKey is CTKYTNKPWZFQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-9(2)6-15-14(19)16-7-13(18)17-10-3-4-11-12(5-10)21-8-20-11/h3-5,9H,6-8H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylcarbamoylamino)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylcarbamoylamino)acetamide has a molecular weight of 293.32 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylcarbamoylamino)acetamide is sourced from PubChem (CID 110606306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).