3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]propanamide

C21H40N4O3 — CID 45170170

IUPAC3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]propanamide
SMILESCCN1CCCC1CN(CC1CCN(CCOC)CC1)C(=O)CCNC(C)=O
InChIInChI=1S/C21H40N4O3/c1-4-24-11-5-6-20(24)17-25(21(27)7-10-22-18(2)26)16-19-8-12-23(13-9-19)14-15-28-3/h19-20H,4-17H2,1-3H3,(H,22,26)
InChIKeyNXESSXPCIBUFKJ-UHFFFAOYSA-N
MW396.58 g/mol
LogP1.18
Rot. Bonds11

About 3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]propanamide

3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]propanamide (PubChem CID 45170170) has the molecular formula C21H40N4O3 and a molecular weight of 396.58 g/mol. Its IUPAC name is 3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]propanamide
PubChem CID45170170
Molecular FormulaC21H40N4O3
Molecular Weight396.58 g/mol
Exact Mass396.31
IUPAC Name3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]propanamide
SMILESCCN1CCCC1CN(CC1CCN(CCOC)CC1)C(=O)CCNC(C)=O
InChIInChI=1S/C21H40N4O3/c1-4-24-11-5-6-20(24)17-25(21(27)7-10-22-18(2)26)16-19-8-12-23(13-9-19)14-15-28-3/h19-20H,4-17H2,1-3H3,(H,22,26)
InChIKeyNXESSXPCIBUFKJ-UHFFFAOYSA-N
XLogP1.18
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]propanamide?
The IUPAC name of 3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]propanamide (CID 45170170) is 3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for 3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]propanamide?
The canonical SMILES for 3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]propanamide is CCN1CCCC1CN(CC1CCN(CCOC)CC1)C(=O)CCNC(C)=O.
What is the InChIKey of 3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]propanamide?
The InChIKey is NXESSXPCIBUFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N4O3/c1-4-24-11-5-6-20(24)17-25(21(27)7-10-22-18(2)26)16-19-8-12-23(13-9-19)14-15-28-3/h19-20H,4-17H2,1-3H3,(H,22,26).
What are the key properties of 3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]propanamide?
3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]propanamide has a molecular weight of 396.58 g/mol, XLogP of 1.18, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 45170170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).