N-(butylcarbamoyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide

C12H24N4O2 — CID 63301724

IUPACN-(butylcarbamoyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
SMILESCCCCNC(=O)NC(=O)CN(C)C1CCNC1
InChIInChI=1S/C12H24N4O2/c1-3-4-6-14-12(18)15-11(17)9-16(2)10-5-7-13-8-10/h10,13H,3-9H2,1-2H3,(H2,14,15,17,18)
InChIKeyMWMDZCUURKCJKS-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.09
Rot. Bonds6

About N-(butylcarbamoyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide

N-(butylcarbamoyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide (PubChem CID 63301724) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(butylcarbamoyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(butylcarbamoyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
PubChem CID63301724
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC NameN-(butylcarbamoyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
SMILESCCCCNC(=O)NC(=O)CN(C)C1CCNC1
InChIInChI=1S/C12H24N4O2/c1-3-4-6-14-12(18)15-11(17)9-16(2)10-5-7-13-8-10/h10,13H,3-9H2,1-2H3,(H2,14,15,17,18)
InChIKeyMWMDZCUURKCJKS-UHFFFAOYSA-N
XLogP-0.09
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(ethylcarbamoyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607364
N-(3-methylbutylcarbamoyl)-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63644254
N-butyl-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63300417
N-(butylcarbamoyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
CID 106636505
N-(ethylcarbamoyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921450
N-(2-acetamidoethyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63301776
2-[cyclohexyl(methyl)amino]-N-(propylcarbamoyl)acetamide
CID 40706145
N-(2-methoxyethylcarbamoyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 63304558
2-[azetidin-3-yl(methyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 66185736
ethyl N-[2-[methyl(piperidin-4-yl)amino]acetyl]carbamate
CID 43607361
N-(cyclopropylcarbamoyl)-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119913095
N-cyclohexyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922828

Frequently Asked Questions

What is the IUPAC name of N-(butylcarbamoyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide?
The IUPAC name of N-(butylcarbamoyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide (CID 63301724) is N-(butylcarbamoyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide.
What is the SMILES notation for N-(butylcarbamoyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide?
The canonical SMILES for N-(butylcarbamoyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide is CCCCNC(=O)NC(=O)CN(C)C1CCNC1.
What is the InChIKey of N-(butylcarbamoyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide?
The InChIKey is MWMDZCUURKCJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-3-4-6-14-12(18)15-11(17)9-16(2)10-5-7-13-8-10/h10,13H,3-9H2,1-2H3,(H2,14,15,17,18).
What are the key properties of N-(butylcarbamoyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide?
N-(butylcarbamoyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide has a molecular weight of 256.35 g/mol, XLogP of -0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylcarbamoyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide is sourced from PubChem (CID 63301724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).