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

C11H22N4O2 — CID 63301776

IUPACN-(2-acetamidoethyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
SMILESCC(=O)NCCNC(=O)CN(C)C1CCNC1
InChIInChI=1S/C11H22N4O2/c1-9(16)13-5-6-14-11(17)8-15(2)10-3-4-12-7-10/h10,12H,3-8H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyVXKHNXZAOMVSBO-UHFFFAOYSA-N
MW242.32 g/mol
LogP-1.47
Rot. Bonds6

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

N-(2-acetamidoethyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide (PubChem CID 63301776) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
PubChem CID63301776
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC NameN-(2-acetamidoethyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
SMILESCC(=O)NCCNC(=O)CN(C)C1CCNC1
InChIInChI=1S/C11H22N4O2/c1-9(16)13-5-6-14-11(17)8-15(2)10-3-4-12-7-10/h10,12H,3-8H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyVXKHNXZAOMVSBO-UHFFFAOYSA-N
XLogP-1.47
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-1.47
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-(3-methylbutyl)-2-[methyl(piperidin-3-yl)amino]acetamide
CID 55248733
N-(butylcarbamoyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63301724
N-cyclohexyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922828
N-(2-acetamidoethyl)-N'-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride
CID 119532735
N-[(2-chlorophenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 55170845
2-[methyl-[2-[methyl(piperidin-4-yl)amino]acetyl]amino]-N-propylacetamide;hydrochloride
CID 119913381
N-(cyclopropylmethyl)-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119913473
N-butyl-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63300417
N-(4-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922897
N-[(4-fluoro-3-methylphenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63298312
2-[methyl(piperidin-4-yl)amino]-N-(2-methylpropyl)acetamide;hydrochloride
CID 119913617
N'-acetyl-2-[azepan-4-yl(methyl)amino]acetohydrazide
CID 107173328

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide (CID 63301776) is N-(2-acetamidoethyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide is CC(=O)NCCNC(=O)CN(C)C1CCNC1.
What is the InChIKey of N-(2-acetamidoethyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide?
The InChIKey is VXKHNXZAOMVSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-9(16)13-5-6-14-11(17)8-15(2)10-3-4-12-7-10/h10,12H,3-8H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of N-(2-acetamidoethyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide?
N-(2-acetamidoethyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide has a molecular weight of 242.32 g/mol, XLogP of -1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide is sourced from PubChem (CID 63301776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).