2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide

C16H22N4O4 — CID 120772498

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide
SMILESCC1(CN)CCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C16H22N4O4/c1-16(8-17)4-5-20(9-16)7-14(21)19-15(22)18-11-2-3-12-13(6-11)24-10-23-12/h2-3,6H,4-5,7-10,17H2,1H3,(H2,18,19,21,22)
InChIKeyNFPABIBUDRSYLR-UHFFFAOYSA-N
MW334.38 g/mol
LogP0.73
Rot. Bonds4

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide (PubChem CID 120772498) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide
PubChem CID120772498
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide
SMILESCC1(CN)CCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C16H22N4O4/c1-16(8-17)4-5-20(9-16)7-14(21)19-15(22)18-11-2-3-12-13(6-11)24-10-23-12/h2-3,6H,4-5,7-10,17H2,1H3,(H2,18,19,21,22)
InChIKeyNFPABIBUDRSYLR-UHFFFAOYSA-N
XLogP0.73
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(3,4-dimethylphenyl)carbamoyl]acetamide;hydrochloride
CID 120773821
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)propanamide
CID 120771976
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 9248269
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 120772306
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]acetamide
CID 27151553
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide;hydrochloride
CID 120773664
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[5-(4-ethylphenyl)tetrazol-2-yl]acetamide
CID 9381448
2-amino-N-(1,3-benzodioxol-5-yl)acetamide
CID 22690417
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetohydrazide
CID 130562628
1-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55815879
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 27013833
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 120772641

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide (CID 120772498) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide is CC1(CN)CCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide?
The InChIKey is NFPABIBUDRSYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-16(8-17)4-5-20(9-16)7-14(21)19-15(22)18-11-2-3-12-13(6-11)24-10-23-12/h2-3,6H,4-5,7-10,17H2,1H3,(H2,18,19,21,22).
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide has a molecular weight of 334.38 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide is sourced from PubChem (CID 120772498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).