2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide

C18H28N2O2 — CID 109398438

IUPAC2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide
SMILESCN(CC(=O)NCCCc1ccccc1)CC1CCCC1O
InChIInChI=1S/C18H28N2O2/c1-20(13-16-10-5-11-17(16)21)14-18(22)19-12-6-9-15-7-3-2-4-8-15/h2-4,7-8,16-17,21H,5-6,9-14H2,1H3,(H,19,22)
InChIKeyCZXROJDUPCRPLN-UHFFFAOYSA-N
MW304.43 g/mol
LogP1.83
Rot. Bonds8

About 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide

2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide (PubChem CID 109398438) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide
PubChem CID109398438
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide
SMILESCN(CC(=O)NCCCc1ccccc1)CC1CCCC1O
InChIInChI=1S/C18H28N2O2/c1-20(13-16-10-5-11-17(16)21)14-18(22)19-12-6-9-15-7-3-2-4-8-15/h2-4,7-8,16-17,21H,5-6,9-14H2,1H3,(H,19,22)
InChIKeyCZXROJDUPCRPLN-UHFFFAOYSA-N
XLogP1.83
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-phenylpropyl)urea
CID 109397447
N'-[(2-hydroxycyclohexyl)methyl]-N'-methyl-N-(3-phenylpropyl)oxamide
CID 110003852
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-phenacylacetamide
CID 109397769
2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 78787240
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 109398057
N-benzyl-N-ethyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 109398007
2-[3-aminopropyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 81493917
2-[[benzyl(methyl)amino]methyl]cyclopentan-1-ol
CID 62609001
N-[(3-fluoro-4-methylphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 109398197
2-[5-hydroxypentyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 107204085
2-[3-hydroxybutyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 115665779
2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-(3-phenylpropyl)acetamide
CID 8729406

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide (CID 109398438) is 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide is CN(CC(=O)NCCCc1ccccc1)CC1CCCC1O.
What is the InChIKey of 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide?
The InChIKey is CZXROJDUPCRPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-20(13-16-10-5-11-17(16)21)14-18(22)19-12-6-9-15-7-3-2-4-8-15/h2-4,7-8,16-17,21H,5-6,9-14H2,1H3,(H,19,22).
What are the key properties of 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide?
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide has a molecular weight of 304.43 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 109398438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).