3-(Diethylamino)propyl 1-phenylcyclopentane-1-carboxylate

C19H29NO2 — CID 200102

IUPAC3-(diethylamino)propyl 1-phenylcyclopentane-1-carboxylate
SMILESCCN(CC)CCCOC(=O)C1(CCCC1)C2=CC=CC=C2
InChIInChI=1S/C19H29NO2/c1-3-20(4-2)15-10-16-22-18(21)19(13-8-9-14-19)17-11-6-5-7-12-17/h5-7,11-12H,3-4,8-10,13-16H2,1-2H3
InChIKeyCJUMSMMWZFHYSW-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.30
Rot. Bonds9

About 3-(Diethylamino)propyl 1-phenylcyclopentane-1-carboxylate

3-(Diethylamino)propyl 1-phenylcyclopentane-1-carboxylate (PubChem CID 200102) has the molecular formula C19H29NO2 and a molecular weight of 303.40 g/mol. Its IUPAC name is 3-(diethylamino)propyl 1-phenylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name3-(Diethylamino)propyl 1-phenylcyclopentane-1-carboxylate
PubChem CID200102
Molecular FormulaC19H29NO2
Molecular Weight303.40 g/mol
Exact Mass303.22
IUPAC Name3-(diethylamino)propyl 1-phenylcyclopentane-1-carboxylate
SMILESCCN(CC)CCCOC(=O)C1(CCCC1)C2=CC=CC=C2
InChIInChI=1S/C19H29NO2/c1-3-20(4-2)15-10-16-22-18(21)19(13-8-9-14-19)17-11-6-5-7-12-17/h5-7,11-12H,3-4,8-10,13-16H2,1-2H3
InChIKeyCJUMSMMWZFHYSW-UHFFFAOYSA-N
XLogP4.30
TPSA29.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity326

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(Diethylamino)propyl 1-phenylcyclopentane-1-carboxylate?
The IUPAC name of 3-(Diethylamino)propyl 1-phenylcyclopentane-1-carboxylate (CID 200102) is 3-(diethylamino)propyl 1-phenylcyclopentane-1-carboxylate.
What is the SMILES notation for 3-(Diethylamino)propyl 1-phenylcyclopentane-1-carboxylate?
The canonical SMILES for 3-(Diethylamino)propyl 1-phenylcyclopentane-1-carboxylate is CCN(CC)CCCOC(=O)C1(CCCC1)C2=CC=CC=C2.
What is the InChIKey of 3-(Diethylamino)propyl 1-phenylcyclopentane-1-carboxylate?
The InChIKey is CJUMSMMWZFHYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-3-20(4-2)15-10-16-22-18(21)19(13-8-9-14-19)17-11-6-5-7-12-17/h5-7,11-12H,3-4,8-10,13-16H2,1-2H3.
What are the key properties of 3-(Diethylamino)propyl 1-phenylcyclopentane-1-carboxylate?
3-(Diethylamino)propyl 1-phenylcyclopentane-1-carboxylate has a molecular weight of 303.40 g/mol, XLogP of 4.30, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(Diethylamino)propyl 1-phenylcyclopentane-1-carboxylate is sourced from PubChem (CID 200102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).