N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide

C15H21ClN2O3 — CID 61214201

IUPACN-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)N(C)CCOc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O3/c1-18(15(19)14-9-13(20-2)10-17-14)7-8-21-12-5-3-11(16)4-6-12/h3-6,13-14,17H,7-10H2,1-2H3
InChIKeyWKANZSASBRDWRD-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.55
Rot. Bonds6

About N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide

N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide (PubChem CID 61214201) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide
PubChem CID61214201
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)N(C)CCOc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O3/c1-18(15(19)14-9-13(20-2)10-17-14)7-8-21-12-5-3-11(16)4-6-12/h3-6,13-14,17H,7-10H2,1-2H3
InChIKeyWKANZSASBRDWRD-UHFFFAOYSA-N
XLogP1.55
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4S)-N-[3-(4-chlorophenoxy)propyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 125138836
N-[2-(4-chlorophenoxy)ethyl]-N,4-dimethylpiperidine-2-carboxamide
CID 114423293
(2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 128978970
N-(2-ethoxyethyl)-4-methoxy-N-methylpyrrolidine-2-carboxamide
CID 81059751
2-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974426
2-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60952702
(4-chlorophenyl)-(4-methoxypyrrolidin-2-yl)methanone
CID 116560565
4-methoxy-N-methyl-N-pent-4-enylpyrrolidine-2-carboxamide
CID 115753468
N-(2-hydroxypropyl)-4-methoxy-N-methylpyrrolidine-2-carboxamide
CID 62335262
4-methoxy-N-(4-propoxyphenyl)pyrrolidine-2-carboxamide
CID 62327297
4-hydroxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 60946282
N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 60711684

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide (CID 61214201) is N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide is COC1CNC(C(=O)N(C)CCOc2ccc(Cl)cc2)C1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide?
The InChIKey is WKANZSASBRDWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-18(15(19)14-9-13(20-2)10-17-14)7-8-21-12-5-3-11(16)4-6-12/h3-6,13-14,17H,7-10H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide?
N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide has a molecular weight of 312.80 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 61214201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).