4-ethoxy-N-(pyrrolidin-3-ylmethyl)butanamide

C11H22N2O2 — CID 80564687

IUPAC4-ethoxy-N-(pyrrolidin-3-ylmethyl)butanamide
SMILESCCOCCCC(=O)NCC1CCNC1
InChIInChI=1S/C11H22N2O2/c1-2-15-7-3-4-11(14)13-9-10-5-6-12-8-10/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeySXXNIISQHDCSGI-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.53
Rot. Bonds7

About 4-ethoxy-N-(pyrrolidin-3-ylmethyl)butanamide

4-ethoxy-N-(pyrrolidin-3-ylmethyl)butanamide (PubChem CID 80564687) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-ethoxy-N-(pyrrolidin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-ethoxy-N-(pyrrolidin-3-ylmethyl)butanamide
PubChem CID80564687
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-ethoxy-N-(pyrrolidin-3-ylmethyl)butanamide
SMILESCCOCCCC(=O)NCC1CCNC1
InChIInChI=1S/C11H22N2O2/c1-2-15-7-3-4-11(14)13-9-10-5-6-12-8-10/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeySXXNIISQHDCSGI-UHFFFAOYSA-N
XLogP0.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(pyrrolidin-3-ylmethyl)dodecanamide
CID 80564166
N-(piperidin-4-ylmethyl)heptanamide
CID 115736684
4-ethoxy-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 103690736
2-fluoro-N-(pyrrolidin-3-ylmethyl)acetamide
CID 174605600
N-(3-propoxypropyl)-3-pyrrolidin-3-ylpropanamide
CID 82941656
4-(4-ethoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119534000
N-(cyclopropylmethyl)-2-(pyrrolidin-3-ylmethoxy)acetamide
CID 62371934
4-methoxy-N-[(4-methylpiperidin-3-yl)methyl]butanamide
CID 114955807
4-methyl-N-(piperidin-4-ylmethyl)pentanamide
CID 28779882
N-(2-ethoxyethyl)-2-piperidin-3-ylacetamide
CID 62689521
3-phenoxy-N-(pyrrolidin-3-ylmethyl)propanamide
CID 80564423
1-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]urea
CID 59006471

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(pyrrolidin-3-ylmethyl)butanamide?
The IUPAC name of 4-ethoxy-N-(pyrrolidin-3-ylmethyl)butanamide (CID 80564687) is 4-ethoxy-N-(pyrrolidin-3-ylmethyl)butanamide.
What is the SMILES notation for 4-ethoxy-N-(pyrrolidin-3-ylmethyl)butanamide?
The canonical SMILES for 4-ethoxy-N-(pyrrolidin-3-ylmethyl)butanamide is CCOCCCC(=O)NCC1CCNC1.
What is the InChIKey of 4-ethoxy-N-(pyrrolidin-3-ylmethyl)butanamide?
The InChIKey is SXXNIISQHDCSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-15-7-3-4-11(14)13-9-10-5-6-12-8-10/h10,12H,2-9H2,1H3,(H,13,14).
What are the key properties of 4-ethoxy-N-(pyrrolidin-3-ylmethyl)butanamide?
4-ethoxy-N-(pyrrolidin-3-ylmethyl)butanamide has a molecular weight of 214.31 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(pyrrolidin-3-ylmethyl)butanamide is sourced from PubChem (CID 80564687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).