N-(oxan-4-ylmethyl)-2-(pyrrolidin-3-ylamino)acetamide

C12H23N3O2 — CID 141147781

IUPACN-(oxan-4-ylmethyl)-2-(pyrrolidin-3-ylamino)acetamide
SMILESO=C(CNC1CCNC1)NCC1CCOCC1
InChIInChI=1S/C12H23N3O2/c16-12(9-14-11-1-4-13-8-11)15-7-10-2-5-17-6-3-10/h10-11,13-14H,1-9H2,(H,15,16)
InChIKeyQCGYYBSGZRDTGU-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.52
Rot. Bonds5

About N-(oxan-4-ylmethyl)-2-(pyrrolidin-3-ylamino)acetamide

N-(oxan-4-ylmethyl)-2-(pyrrolidin-3-ylamino)acetamide (PubChem CID 141147781) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-2-(pyrrolidin-3-ylamino)acetamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-2-(pyrrolidin-3-ylamino)acetamide
PubChem CID141147781
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-(oxan-4-ylmethyl)-2-(pyrrolidin-3-ylamino)acetamide
SMILESO=C(CNC1CCNC1)NCC1CCOCC1
InChIInChI=1S/C12H23N3O2/c16-12(9-14-11-1-4-13-8-11)15-7-10-2-5-17-6-3-10/h10-11,13-14H,1-9H2,(H,15,16)
InChIKeyQCGYYBSGZRDTGU-UHFFFAOYSA-N
XLogP-0.52
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-2-(pyrrolidin-3-ylamino)acetamide?
The IUPAC name of N-(oxan-4-ylmethyl)-2-(pyrrolidin-3-ylamino)acetamide (CID 141147781) is N-(oxan-4-ylmethyl)-2-(pyrrolidin-3-ylamino)acetamide.
What is the SMILES notation for N-(oxan-4-ylmethyl)-2-(pyrrolidin-3-ylamino)acetamide?
The canonical SMILES for N-(oxan-4-ylmethyl)-2-(pyrrolidin-3-ylamino)acetamide is O=C(CNC1CCNC1)NCC1CCOCC1.
What is the InChIKey of N-(oxan-4-ylmethyl)-2-(pyrrolidin-3-ylamino)acetamide?
The InChIKey is QCGYYBSGZRDTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c16-12(9-14-11-1-4-13-8-11)15-7-10-2-5-17-6-3-10/h10-11,13-14H,1-9H2,(H,15,16).
What are the key properties of N-(oxan-4-ylmethyl)-2-(pyrrolidin-3-ylamino)acetamide?
N-(oxan-4-ylmethyl)-2-(pyrrolidin-3-ylamino)acetamide has a molecular weight of 241.33 g/mol, XLogP of -0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-2-(pyrrolidin-3-ylamino)acetamide is sourced from PubChem (CID 141147781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).