N-[2-(3-methoxypropoxy)phenyl]pyrrolidine-1-carboxamide

C15H22N2O3 — CID 47373598

IUPACN-[2-(3-methoxypropoxy)phenyl]pyrrolidine-1-carboxamide
SMILESCOCCCOc1ccccc1NC(=O)N1CCCC1
InChIInChI=1S/C15H22N2O3/c1-19-11-6-12-20-14-8-3-2-7-13(14)16-15(18)17-9-4-5-10-17/h2-3,7-8H,4-6,9-12H2,1H3,(H,16,18)
InChIKeyMFOIYXTVNZTZIE-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.73
Rot. Bonds6

About N-[2-(3-methoxypropoxy)phenyl]pyrrolidine-1-carboxamide

N-[2-(3-methoxypropoxy)phenyl]pyrrolidine-1-carboxamide (PubChem CID 47373598) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[2-(3-methoxypropoxy)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxypropoxy)phenyl]pyrrolidine-1-carboxamide
PubChem CID47373598
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[2-(3-methoxypropoxy)phenyl]pyrrolidine-1-carboxamide
SMILESCOCCCOc1ccccc1NC(=O)N1CCCC1
InChIInChI=1S/C15H22N2O3/c1-19-11-6-12-20-14-8-3-2-7-13(14)16-15(18)17-9-4-5-10-17/h2-3,7-8H,4-6,9-12H2,1H3,(H,16,18)
InChIKeyMFOIYXTVNZTZIE-UHFFFAOYSA-N
XLogP2.73
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(3-methoxypropoxy)phenyl]pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[2-(3-methoxypropoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077530
4-benzoyl-N-[2-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide
CID 47493503
N-[2-(2-methoxyethoxy)-4-methylphenyl]pyrrolidine-1-carboxamide
CID 47262655
N-[2-(2-methoxyethoxy)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide
CID 47493667
N-[2-(2-methoxyethoxy)phenyl]-3-phenylpiperazine-1-carboxamide
CID 72938413
1-N-(2-butoxyphenyl)-4-N,4-N-dimethylpiperidine-1,4-dicarboxamide
CID 87035683
N-[2-(2-amino-2-iminoethoxy)phenyl]piperidine-1-carboxamide
CID 79155746
2-(2-methoxyethoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17355401
3-(methoxymethyl)-N-(2-propoxyphenyl)azetidine-1-carboxamide
CID 126831370
N-[2-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47201193
4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide
CID 121187160
(2S)-2-amino-N-[2-(3-methoxypropoxy)phenyl]propanamide;hydrochloride
CID 119302241

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropoxy)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(3-methoxypropoxy)phenyl]pyrrolidine-1-carboxamide (CID 47373598) is N-[2-(3-methoxypropoxy)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(3-methoxypropoxy)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(3-methoxypropoxy)phenyl]pyrrolidine-1-carboxamide is COCCCOc1ccccc1NC(=O)N1CCCC1.
What is the InChIKey of N-[2-(3-methoxypropoxy)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is MFOIYXTVNZTZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-11-6-12-20-14-8-3-2-7-13(14)16-15(18)17-9-4-5-10-17/h2-3,7-8H,4-6,9-12H2,1H3,(H,16,18).
What are the key properties of N-[2-(3-methoxypropoxy)phenyl]pyrrolidine-1-carboxamide?
N-[2-(3-methoxypropoxy)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropoxy)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 47373598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).