2-acetamido-N-[2-(cycloheptylamino)ethyl]-2-cyclopentylacetamide;hydrochloride

C18H34ClN3O2 — CID 119619470

IUPAC2-acetamido-N-[2-(cycloheptylamino)ethyl]-2-cyclopentylacetamide;hydrochloride
SMILESCC(=O)NC(C(=O)NCCNC1CCCCCC1)C1CCCC1.Cl
InChIInChI=1S/C18H33N3O2.ClH/c1-14(22)21-17(15-8-6-7-9-15)18(23)20-13-12-19-16-10-4-2-3-5-11-16;/h15-17,19H,2-13H2,1H3,(H,20,23)(H,21,22);1H
InChIKeyMATDOHBDBPQTLJ-UHFFFAOYSA-N
MW359.94 g/mol
LogP2.53
Rot. Bonds7

About 2-acetamido-N-[2-(cycloheptylamino)ethyl]-2-cyclopentylacetamide;hydrochloride

2-acetamido-N-[2-(cycloheptylamino)ethyl]-2-cyclopentylacetamide;hydrochloride (PubChem CID 119619470) has the molecular formula C18H34ClN3O2 and a molecular weight of 359.94 g/mol. Its IUPAC name is 2-acetamido-N-[2-(cycloheptylamino)ethyl]-2-cyclopentylacetamide;hydrochloride.

Molecular Properties

Compound Name2-acetamido-N-[2-(cycloheptylamino)ethyl]-2-cyclopentylacetamide;hydrochloride
PubChem CID119619470
Molecular FormulaC18H34ClN3O2
Molecular Weight359.94 g/mol
Exact Mass359.23
IUPAC Name2-acetamido-N-[2-(cycloheptylamino)ethyl]-2-cyclopentylacetamide;hydrochloride
SMILESCC(=O)NC(C(=O)NCCNC1CCCCCC1)C1CCCC1.Cl
InChIInChI=1S/C18H33N3O2.ClH/c1-14(22)21-17(15-8-6-7-9-15)18(23)20-13-12-19-16-10-4-2-3-5-11-16;/h15-17,19H,2-13H2,1H3,(H,20,23)(H,21,22);1H
InChIKeyMATDOHBDBPQTLJ-UHFFFAOYSA-N
XLogP2.53
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.94
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-2-cyclopentyl-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119430086
(2S)-2-acetamido-N-cyclooctyl-2-cyclopentylacetamide
CID 94491136
N-[2-(cyclononylamino)ethyl]acetamide
CID 154969023
N-[2-(cyclododecylamino)ethyl]-2-methylpropanamide
CID 28552099
N-[2-(cyclohexylamino)ethyl]-2-methylpropanamide
CID 28651344
N-[2-(cycloheptylamino)ethyl]-2-cyclopropylpropanamide
CID 81482446
2-acetamido-2-cyclopentyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 134026215
2-acetamido-2-cyclopentyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119391186
2-acetamido-2-cyclopentyl-N-(2-phenylethyl)acetamide
CID 51271986
2-acetamido-2-cyclopentyl-N-(2-piperidin-3-ylethyl)acetamide
CID 119555580
2-acetamido-N-[2-(4-aminophenyl)ethyl]-2-cyclopentylacetamide
CID 119547727
2-acetamido-2-cyclopentyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119386391

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-(cycloheptylamino)ethyl]-2-cyclopentylacetamide;hydrochloride?
The IUPAC name of 2-acetamido-N-[2-(cycloheptylamino)ethyl]-2-cyclopentylacetamide;hydrochloride (CID 119619470) is 2-acetamido-N-[2-(cycloheptylamino)ethyl]-2-cyclopentylacetamide;hydrochloride.
What is the SMILES notation for 2-acetamido-N-[2-(cycloheptylamino)ethyl]-2-cyclopentylacetamide;hydrochloride?
The canonical SMILES for 2-acetamido-N-[2-(cycloheptylamino)ethyl]-2-cyclopentylacetamide;hydrochloride is CC(=O)NC(C(=O)NCCNC1CCCCCC1)C1CCCC1.Cl.
What is the InChIKey of 2-acetamido-N-[2-(cycloheptylamino)ethyl]-2-cyclopentylacetamide;hydrochloride?
The InChIKey is MATDOHBDBPQTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2.ClH/c1-14(22)21-17(15-8-6-7-9-15)18(23)20-13-12-19-16-10-4-2-3-5-11-16;/h15-17,19H,2-13H2,1H3,(H,20,23)(H,21,22);1H.
What are the key properties of 2-acetamido-N-[2-(cycloheptylamino)ethyl]-2-cyclopentylacetamide;hydrochloride?
2-acetamido-N-[2-(cycloheptylamino)ethyl]-2-cyclopentylacetamide;hydrochloride has a molecular weight of 359.94 g/mol, XLogP of 2.53, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-(cycloheptylamino)ethyl]-2-cyclopentylacetamide;hydrochloride is sourced from PubChem (CID 119619470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).