2-cyclopentyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide

C20H31N2O2+ — CID 2510636

IUPAC2-cyclopentyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide
SMILESC[C@@H](NC(=O)CC1CCCC1)[C@@H](c1ccccc1)[NH+]1CCOCC1
InChIInChI=1S/C20H30N2O2/c1-16(21-19(23)15-17-7-5-6-8-17)20(18-9-3-2-4-10-18)22-11-13-24-14-12-22/h2-4,9-10,16-17,20H,5-8,11-15H2,1H3,(H,21,23)/p+1/t16-,20+/m1/s1
InChIKeyQEYMOTLHWIKYKF-UZLBHIALSA-O
MW331.48 g/mol
LogP1.73
Rot. Bonds6

About 2-cyclopentyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide

2-cyclopentyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide (PubChem CID 2510636) has the molecular formula C20H31N2O2+ and a molecular weight of 331.48 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide
PubChem CID2510636
Molecular FormulaC20H31N2O2+
Molecular Weight331.48 g/mol
Exact Mass331.24
IUPAC Name2-cyclopentyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide
SMILESC[C@@H](NC(=O)CC1CCCC1)[C@@H](c1ccccc1)[NH+]1CCOCC1
InChIInChI=1S/C20H30N2O2/c1-16(21-19(23)15-17-7-5-6-8-17)20(18-9-3-2-4-10-18)22-11-13-24-14-12-22/h2-4,9-10,16-17,20H,5-8,11-15H2,1H3,(H,21,23)/p+1/t16-,20+/m1/s1
InChIKeyQEYMOTLHWIKYKF-UZLBHIALSA-O
XLogP1.73
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-cyclopentyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

2-(4-methylpiperidin-1-ium-1-yl)-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide
CID 8558211
ethyl 1-[2-[[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8772993
1-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]-3-phenylurea
CID 2325919
[(1R)-1-(4-chlorophenyl)ethyl]-[2-[[(1R,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]amino]-2-oxoethyl]azanium
CID 8637239
2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide
CID 8908519
2-(2,4-difluorophenyl)sulfanyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide
CID 8771179
4-chloro-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]benzamide
CID 2328030
1-(4-fluorophenyl)-3-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]urea
CID 2326049
5-methyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]thiophene-2-carboxamide
CID 2510659
5-methyl-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]thiophene-2-carboxamide
CID 2510663
N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]-3-phenylpropanethioamide
CID 2326065
2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid
CID 115909766

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide (CID 2510636) is 2-cyclopentyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide is C[C@@H](NC(=O)CC1CCCC1)[C@@H](c1ccccc1)[NH+]1CCOCC1.
What is the InChIKey of 2-cyclopentyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide?
The InChIKey is QEYMOTLHWIKYKF-UZLBHIALSA-O. The full InChI is InChI=1S/C20H30N2O2/c1-16(21-19(23)15-17-7-5-6-8-17)20(18-9-3-2-4-10-18)22-11-13-24-14-12-22/h2-4,9-10,16-17,20H,5-8,11-15H2,1H3,(H,21,23)/p+1/t16-,20+/m1/s1.
What are the key properties of 2-cyclopentyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide?
2-cyclopentyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide has a molecular weight of 331.48 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide is sourced from PubChem (CID 2510636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).