N-(2-phenoxypropyl)pyrrolidine-2-carboxamide

C14H20N2O2 — CID 119295522

IUPACN-(2-phenoxypropyl)pyrrolidine-2-carboxamide
SMILESCC(CNC(=O)C1CCCN1)Oc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-11(18-12-6-3-2-4-7-12)10-16-14(17)13-8-5-9-15-13/h2-4,6-7,11,13,15H,5,8-10H2,1H3,(H,16,17)
InChIKeyMPBRYQOUGXMQSJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.32
Rot. Bonds5

About N-(2-phenoxypropyl)pyrrolidine-2-carboxamide

N-(2-phenoxypropyl)pyrrolidine-2-carboxamide (PubChem CID 119295522) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(2-phenoxypropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenoxypropyl)pyrrolidine-2-carboxamide
PubChem CID119295522
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(2-phenoxypropyl)pyrrolidine-2-carboxamide
SMILESCC(CNC(=O)C1CCCN1)Oc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-11(18-12-6-3-2-4-7-12)10-16-14(17)13-8-5-9-15-13/h2-4,6-7,11,13,15H,5,8-10H2,1H3,(H,16,17)
InChIKeyMPBRYQOUGXMQSJ-UHFFFAOYSA-N
XLogP1.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119295521
N-[2-(3-methylphenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119335744
N-[2-(3-chlorophenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119336985
N-[2-(3-chlorophenoxy)propyl]piperidine-2-carboxamide
CID 119336972
N-[2-(2-fluorophenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119335715
N-(2-phenoxypropyl)-2-pyrrolidin-2-ylacetamide
CID 119734660
N-(2-phenylsulfanylpropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119335474
2-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid
CID 104901121
N-(2-phenylsulfanylpropyl)piperidine-2-carboxamide;hydrochloride
CID 119335458
N-(2-methoxy-2-phenylethyl)piperidine-2-carboxamide;hydrochloride
CID 119278882
trans-(1S,2S)-2-[[(2R)-2-phenoxypropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131961
trans-(1R,2R)-2-[[(2R)-2-phenoxypropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131962

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxypropyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-phenoxypropyl)pyrrolidine-2-carboxamide (CID 119295522) is N-(2-phenoxypropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-phenoxypropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-phenoxypropyl)pyrrolidine-2-carboxamide is CC(CNC(=O)C1CCCN1)Oc1ccccc1.
What is the InChIKey of N-(2-phenoxypropyl)pyrrolidine-2-carboxamide?
The InChIKey is MPBRYQOUGXMQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(18-12-6-3-2-4-7-12)10-16-14(17)13-8-5-9-15-13/h2-4,6-7,11,13,15H,5,8-10H2,1H3,(H,16,17).
What are the key properties of N-(2-phenoxypropyl)pyrrolidine-2-carboxamide?
N-(2-phenoxypropyl)pyrrolidine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxypropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 119295522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).