N-ethyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-(2-methylprop-2-enyl)acetamide

C14H27N3O — CID 63299759

IUPACN-ethyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CN(CC)C1CCNC1
InChIInChI=1S/C14H27N3O/c1-5-16(13-7-8-15-9-13)11-14(18)17(6-2)10-12(3)4/h13,15H,3,5-11H2,1-2,4H3
InChIKeyBOZARDJIRFUCCC-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.09
Rot. Bonds7

About N-ethyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-(2-methylprop-2-enyl)acetamide

N-ethyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-(2-methylprop-2-enyl)acetamide (PubChem CID 63299759) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-ethyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-(2-methylprop-2-enyl)acetamide
PubChem CID63299759
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-ethyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CN(CC)C1CCNC1
InChIInChI=1S/C14H27N3O/c1-5-16(13-7-8-15-9-13)11-14(18)17(6-2)10-12(3)4/h13,15H,3,5-11H2,1-2,4H3
InChIKeyBOZARDJIRFUCCC-UHFFFAOYSA-N
XLogP1.09
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[azetidin-3-yl(ethyl)amino]-N,N-diethylacetamide
CID 66182586
ethyl 2-[ethyl(pyrrolidin-3-yl)amino]acetate
CID 63300317
(3S)-N,N-diethylpyrrolidin-3-amine
CID 30722524
2-[cyclopentyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid
CID 60834611
ethyl 2-[cyclopropyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetate
CID 62027430
N-cyclohexyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-propan-2-ylacetamide
CID 63299179
2-[ethyl(pyrrolidin-3-yl)amino]-N-pentan-3-ylacetamide
CID 63300371
N-butyl-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63300417
N-ethyl-N-(2-methylprop-2-enyl)piperidine-3-carboxamide
CID 24696269
N-butan-2-yl-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63300316
N-ethyl-N-(2-ethylsulfonylethyl)pyrrolidin-3-amine
CID 63299823
2-[ethyl(pyrrolidin-3-yl)amino]ethanol
CID 56831602

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of N-ethyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-(2-methylprop-2-enyl)acetamide (CID 63299759) is N-ethyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for N-ethyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for N-ethyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-(2-methylprop-2-enyl)acetamide is C=C(C)CN(CC)C(=O)CN(CC)C1CCNC1.
What is the InChIKey of N-ethyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is BOZARDJIRFUCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-5-16(13-7-8-15-9-13)11-14(18)17(6-2)10-12(3)4/h13,15H,3,5-11H2,1-2,4H3.
What are the key properties of N-ethyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-(2-methylprop-2-enyl)acetamide?
N-ethyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 253.39 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 63299759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).