N-(2-methoxyethylcarbamoyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide

C13H26N4O3 — CID 63304558

IUPACN-(2-methoxyethylcarbamoyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
SMILESCCCN(CC(=O)NC(=O)NCCOC)C1CCNC1
InChIInChI=1S/C13H26N4O3/c1-3-7-17(11-4-5-14-9-11)10-12(18)16-13(19)15-6-8-20-2/h11,14H,3-10H2,1-2H3,(H2,15,16,18,19)
InChIKeyJXNJMPVYCBHXLN-UHFFFAOYSA-N
MW286.38 g/mol
LogP-0.47
Rot. Bonds8

About N-(2-methoxyethylcarbamoyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide

N-(2-methoxyethylcarbamoyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide (PubChem CID 63304558) has the molecular formula C13H26N4O3 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(2-methoxyethylcarbamoyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethylcarbamoyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
PubChem CID63304558
Molecular FormulaC13H26N4O3
Molecular Weight286.38 g/mol
Exact Mass286.20
IUPAC NameN-(2-methoxyethylcarbamoyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
SMILESCCCN(CC(=O)NC(=O)NCCOC)C1CCNC1
InChIInChI=1S/C13H26N4O3/c1-3-7-17(11-4-5-14-9-11)10-12(18)16-13(19)15-6-8-20-2/h11,14H,3-10H2,1-2H3,(H2,15,16,18,19)
InChIKeyJXNJMPVYCBHXLN-UHFFFAOYSA-N
XLogP-0.47
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(ethylcarbamoyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921450
2-[azetidin-3-yl(methyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 66185736
N-(3-methoxypropyl)-2-[piperidin-3-yl(propyl)amino]acetamide
CID 63637518
N-(cyclopropylmethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921724
N-(2-methylpropylcarbamoyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride
CID 119932861
N'-acetyl-2-[propyl(pyrrolidin-3-yl)amino]acetohydrazide
CID 63300602
N-(2-phenoxyethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 119921645
N-(2-methylpropyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921772
N-(butylcarbamoyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63301724
N-propan-2-yl-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921653
N-(2-cyanoethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 63301073
N-(4-methoxyphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921557

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethylcarbamoyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide?
The IUPAC name of N-(2-methoxyethylcarbamoyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide (CID 63304558) is N-(2-methoxyethylcarbamoyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide.
What is the SMILES notation for N-(2-methoxyethylcarbamoyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide?
The canonical SMILES for N-(2-methoxyethylcarbamoyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide is CCCN(CC(=O)NC(=O)NCCOC)C1CCNC1.
What is the InChIKey of N-(2-methoxyethylcarbamoyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide?
The InChIKey is JXNJMPVYCBHXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3/c1-3-7-17(11-4-5-14-9-11)10-12(18)16-13(19)15-6-8-20-2/h11,14H,3-10H2,1-2H3,(H2,15,16,18,19).
What are the key properties of N-(2-methoxyethylcarbamoyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide?
N-(2-methoxyethylcarbamoyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide has a molecular weight of 286.38 g/mol, XLogP of -0.47, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethylcarbamoyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide is sourced from PubChem (CID 63304558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).