N-[2-(2-methoxyethoxy)-4-methylphenyl]pyrrolidine-1-carboxamide

C15H22N2O3 — CID 47262655

IUPACN-[2-(2-methoxyethoxy)-4-methylphenyl]pyrrolidine-1-carboxamide
SMILESCOCCOc1cc(C)ccc1NC(=O)N1CCCC1
InChIInChI=1S/C15H22N2O3/c1-12-5-6-13(14(11-12)20-10-9-19-2)16-15(18)17-7-3-4-8-17/h5-6,11H,3-4,7-10H2,1-2H3,(H,16,18)
InChIKeyGROWDTKYQXDTPV-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.65
Rot. Bonds5

About N-[2-(2-methoxyethoxy)-4-methylphenyl]pyrrolidine-1-carboxamide

N-[2-(2-methoxyethoxy)-4-methylphenyl]pyrrolidine-1-carboxamide (PubChem CID 47262655) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)-4-methylphenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)-4-methylphenyl]pyrrolidine-1-carboxamide
PubChem CID47262655
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[2-(2-methoxyethoxy)-4-methylphenyl]pyrrolidine-1-carboxamide
SMILESCOCCOc1cc(C)ccc1NC(=O)N1CCCC1
InChIInChI=1S/C15H22N2O3/c1-12-5-6-13(14(11-12)20-10-9-19-2)16-15(18)17-7-3-4-8-17/h5-6,11H,3-4,7-10H2,1-2H3,(H,16,18)
InChIKeyGROWDTKYQXDTPV-UHFFFAOYSA-N
XLogP2.65
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methoxypropoxy)phenyl]pyrrolidine-1-carboxamide
CID 47373598
2-(cyclopropylmethylamino)-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride
CID 119726882
2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride
CID 119291233
N-[2-(2-methoxyethoxy)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide
CID 47493667
N-(4-methyl-2-propoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 51085636
N-(4-methyl-2-phenylmethoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 52667395
N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-methylbut-2-enamide
CID 113225723
2-bromo-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide
CID 107904095
5-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120685047
N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(methylamino)propanamide
CID 62639493
N-(2-chloro-4-methylphenyl)azocane-1-carboxamide
CID 17180409
2-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975087

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)-4-methylphenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(2-methoxyethoxy)-4-methylphenyl]pyrrolidine-1-carboxamide (CID 47262655) is N-[2-(2-methoxyethoxy)-4-methylphenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)-4-methylphenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)-4-methylphenyl]pyrrolidine-1-carboxamide is COCCOc1cc(C)ccc1NC(=O)N1CCCC1.
What is the InChIKey of N-[2-(2-methoxyethoxy)-4-methylphenyl]pyrrolidine-1-carboxamide?
The InChIKey is GROWDTKYQXDTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-12-5-6-13(14(11-12)20-10-9-19-2)16-15(18)17-7-3-4-8-17/h5-6,11H,3-4,7-10H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(2-methoxyethoxy)-4-methylphenyl]pyrrolidine-1-carboxamide?
N-[2-(2-methoxyethoxy)-4-methylphenyl]pyrrolidine-1-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)-4-methylphenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 47262655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).