2-morpholin-4-ium-4-yl-N-[(1-phenylcyclopentyl)methyl]acetamide

C18H27N2O2+ — CID 3532070

IUPAC2-morpholin-4-ium-4-yl-N-[(1-phenylcyclopentyl)methyl]acetamide
SMILESO=C(C[NH+]1CCOCC1)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C18H26N2O2/c21-17(14-20-10-12-22-13-11-20)19-15-18(8-4-5-9-18)16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15H2,(H,19,21)/p+1
InChIKeyXICOIUVERMHLLR-UHFFFAOYSA-O
MW303.43 g/mol
LogP0.53
Rot. Bonds5

About 2-morpholin-4-ium-4-yl-N-[(1-phenylcyclopentyl)methyl]acetamide

2-morpholin-4-ium-4-yl-N-[(1-phenylcyclopentyl)methyl]acetamide (PubChem CID 3532070) has the molecular formula C18H27N2O2+ and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-morpholin-4-ium-4-yl-N-[(1-phenylcyclopentyl)methyl]acetamide.

Molecular Properties

Compound Name2-morpholin-4-ium-4-yl-N-[(1-phenylcyclopentyl)methyl]acetamide
PubChem CID3532070
Molecular FormulaC18H27N2O2+
Molecular Weight303.43 g/mol
Exact Mass303.21
IUPAC Name2-morpholin-4-ium-4-yl-N-[(1-phenylcyclopentyl)methyl]acetamide
SMILESO=C(C[NH+]1CCOCC1)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C18H26N2O2/c21-17(14-20-10-12-22-13-11-20)19-15-18(8-4-5-9-18)16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15H2,(H,19,21)/p+1
InChIKeyXICOIUVERMHLLR-UHFFFAOYSA-O
XLogP0.53
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-hydroxycyclopentyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 111430576
N-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide
CID 51078296
1-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 119293535
4-(aminomethyl)-N-[(1-phenylcyclopentyl)methyl]oxane-4-carboxamide
CID 120920461
2-(methylcarbamoylamino)-N-[(1-phenylcycloheptyl)methyl]acetamide
CID 136518370
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227
N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]benzamide
CID 46691539
N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylacetamide
CID 75538689
1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea
CID 38287346
3-methoxy-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 110480493
N-(benzylcarbamoyl)-2-morpholin-4-ium-4-ylacetamide
CID 2697515
N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 44667750

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ium-4-yl-N-[(1-phenylcyclopentyl)methyl]acetamide?
The IUPAC name of 2-morpholin-4-ium-4-yl-N-[(1-phenylcyclopentyl)methyl]acetamide (CID 3532070) is 2-morpholin-4-ium-4-yl-N-[(1-phenylcyclopentyl)methyl]acetamide.
What is the SMILES notation for 2-morpholin-4-ium-4-yl-N-[(1-phenylcyclopentyl)methyl]acetamide?
The canonical SMILES for 2-morpholin-4-ium-4-yl-N-[(1-phenylcyclopentyl)methyl]acetamide is O=C(C[NH+]1CCOCC1)NCC1(c2ccccc2)CCCC1.
What is the InChIKey of 2-morpholin-4-ium-4-yl-N-[(1-phenylcyclopentyl)methyl]acetamide?
The InChIKey is XICOIUVERMHLLR-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H26N2O2/c21-17(14-20-10-12-22-13-11-20)19-15-18(8-4-5-9-18)16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15H2,(H,19,21)/p+1.
What are the key properties of 2-morpholin-4-ium-4-yl-N-[(1-phenylcyclopentyl)methyl]acetamide?
2-morpholin-4-ium-4-yl-N-[(1-phenylcyclopentyl)methyl]acetamide has a molecular weight of 303.43 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ium-4-yl-N-[(1-phenylcyclopentyl)methyl]acetamide is sourced from PubChem (CID 3532070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).