N-[(2-phenyloxan-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C18H27ClN2O2 — CID 119741526

IUPACN-[(2-phenyloxan-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)NCC1CCCOC1c1ccccc1
InChIInChI=1S/C18H26N2O2.ClH/c21-17(12-16-9-4-10-19-16)20-13-15-8-5-11-22-18(15)14-6-2-1-3-7-14;/h1-3,6-7,15-16,18-19H,4-5,8-13H2,(H,20,21);1H
InChIKeySBTHYHYXPMURQC-UHFFFAOYSA-N
MW338.88 g/mol
LogP2.83
Rot. Bonds5

About N-[(2-phenyloxan-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[(2-phenyloxan-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119741526) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is N-[(2-phenyloxan-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-phenyloxan-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119741526
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC NameN-[(2-phenyloxan-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)NCC1CCCOC1c1ccccc1
InChIInChI=1S/C18H26N2O2.ClH/c21-17(12-16-9-4-10-19-16)20-13-15-8-5-11-22-18(15)14-6-2-1-3-7-14;/h1-3,6-7,15-16,18-19H,4-5,8-13H2,(H,20,21);1H
InChIKeySBTHYHYXPMURQC-UHFFFAOYSA-N
XLogP2.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-2-methyl-N-[(2-phenyloxan-3-yl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120624612
N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119329797
N-[(2-propan-2-yloxolan-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119819204
N-(oxolan-2-ylmethyl)-2-piperidin-2-ylacetamide
CID 43151298
5-methyl-N-[(2-phenyloxan-3-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119741480
4-cyclopentyloxy-N-[(2-phenyloxan-3-yl)methyl]benzamide
CID 86843823
2-oxo-N-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-1H-pyridine-3-carboxamide
CID 52511157
N-[(2-methylcyclopropyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 115738402
N-[(2-phenyloxan-3-yl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 47076950
N-(oxan-2-ylmethyl)-2-piperidin-2-ylacetamide
CID 55013597
N-[[2-(methoxymethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 61363866
N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119794620

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenyloxan-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[(2-phenyloxan-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119741526) is N-[(2-phenyloxan-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[(2-phenyloxan-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[(2-phenyloxan-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is Cl.O=C(CC1CCCN1)NCC1CCCOC1c1ccccc1.
What is the InChIKey of N-[(2-phenyloxan-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is SBTHYHYXPMURQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2.ClH/c21-17(12-16-9-4-10-19-16)20-13-15-8-5-11-22-18(15)14-6-2-1-3-7-14;/h1-3,6-7,15-16,18-19H,4-5,8-13H2,(H,20,21);1H.
What are the key properties of N-[(2-phenyloxan-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[(2-phenyloxan-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenyloxan-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119741526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).