N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide

C18H26N2O2 — CID 119782436

IUPACN-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(C1CCNC1)N(Cc1ccccc1)CC1CCOCC1
InChIInChI=1S/C18H26N2O2/c21-18(17-6-9-19-12-17)20(13-15-4-2-1-3-5-15)14-16-7-10-22-11-8-16/h1-5,16-17,19H,6-14H2
InChIKeyZETDCMDDJVYIEQ-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.05
Rot. Bonds5

About N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide

N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 119782436) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID119782436
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(C1CCNC1)N(Cc1ccccc1)CC1CCOCC1
InChIInChI=1S/C18H26N2O2/c21-18(17-6-9-19-12-17)20(13-15-4-2-1-3-5-15)14-16-7-10-22-11-8-16/h1-5,16-17,19H,6-14H2
InChIKeyZETDCMDDJVYIEQ-UHFFFAOYSA-N
XLogP2.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide (CID 119782436) is N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide is O=C(C1CCNC1)N(Cc1ccccc1)CC1CCOCC1.
What is the InChIKey of N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is ZETDCMDDJVYIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c21-18(17-6-9-19-12-17)20(13-15-4-2-1-3-5-15)14-16-7-10-22-11-8-16/h1-5,16-17,19H,6-14H2.
What are the key properties of N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide?
N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 119782436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).