ethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate

C14H20N2O2 — CID 110640322

IUPACethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate
SMILESCCOC(=O)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C14H20N2O2/c1-2-18-14(17)15-10-12-8-9-16(11-12)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H,15,17)
InChIKeyIUKXOWNVFVMLOE-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.26
Rot. Bonds4

About ethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate

ethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate (PubChem CID 110640322) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is ethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate
PubChem CID110640322
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Nameethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate
SMILESCCOC(=O)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C14H20N2O2/c1-2-18-14(17)15-10-12-8-9-16(11-12)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H,15,17)
InChIKeyIUKXOWNVFVMLOE-UHFFFAOYSA-N
XLogP2.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
N-ethyl-2-[(1-phenylpyrrolidin-3-yl)methylcarbamoylamino]acetamide
CID 86993830
4-methoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
CID 122559036
2-amino-2-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride
CID 120669772
ethyl 1-[methyl-[2-oxo-2-[[(3R)-1-phenylpyrrolidin-3-yl]methylamino]ethyl]amino]cyclohexane-1-carboxylate
CID 97029042
2-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]furan-3-carboxamide
CID 38442503
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 42258344
2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957578
2-methylsulfonyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 51082052
2-(4-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride
CID 119854864
(2S)-2-methylsulfonyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]propanamide
CID 94166556
4,5-dimethyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 38442776

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate?
The IUPAC name of ethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate (CID 110640322) is ethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate.
What is the SMILES notation for ethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate?
The canonical SMILES for ethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate is CCOC(=O)NCC1CCN(c2ccccc2)C1.
What is the InChIKey of ethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate?
The InChIKey is IUKXOWNVFVMLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-18-14(17)15-10-12-8-9-16(11-12)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H,15,17).
What are the key properties of ethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate?
ethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate has a molecular weight of 248.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate is sourced from PubChem (CID 110640322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).