N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride

C18H27ClN2O2 — CID 6603489

IUPACN-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
SMILESCl.O=C(CN1CCCC1)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C18H26N2O2.ClH/c21-17(14-20-10-4-5-11-20)19-15-18(8-12-22-13-9-18)16-6-2-1-3-7-16;/h1-3,6-7H,4-5,8-15H2,(H,19,21);1H
InChIKeyMVKNJAWDPHMKCO-UHFFFAOYSA-N
MW338.88 g/mol
LogP2.37
Rot. Bonds5

About N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride

N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride (PubChem CID 6603489) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
PubChem CID6603489
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC NameN-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
SMILESCl.O=C(CN1CCCC1)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C18H26N2O2.ClH/c21-17(14-20-10-4-5-11-20)19-15-18(8-12-22-13-9-18)16-6-2-1-3-7-16;/h1-3,6-7H,4-5,8-15H2,(H,19,21);1H
InChIKeyMVKNJAWDPHMKCO-UHFFFAOYSA-N
XLogP2.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride?
The IUPAC name of N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride (CID 6603489) is N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride.
What is the SMILES notation for N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride?
The canonical SMILES for N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride is Cl.O=C(CN1CCCC1)NCC1(c2ccccc2)CCOCC1.
What is the InChIKey of N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride?
The InChIKey is MVKNJAWDPHMKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2.ClH/c21-17(14-20-10-4-5-11-20)19-15-18(8-12-22-13-9-18)16-6-2-1-3-7-16;/h1-3,6-7H,4-5,8-15H2,(H,19,21);1H.
What are the key properties of N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride?
N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride is sourced from PubChem (CID 6603489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).