1-[4-[(2-methoxyethylamino)methyl]-2-methylphenyl]pyrrolidine-2-carboxamide

C16H25N3O2 — CID 63061257

IUPAC1-[4-[(2-methoxyethylamino)methyl]-2-methylphenyl]pyrrolidine-2-carboxamide
SMILESCOCCNCc1ccc(N2CCCC2C(N)=O)c(C)c1
InChIInChI=1S/C16H25N3O2/c1-12-10-13(11-18-7-9-21-2)5-6-14(12)19-8-3-4-15(19)16(17)20/h5-6,10,15,18H,3-4,7-9,11H2,1-2H3,(H2,17,20)
InChIKeyUQAYQLRDLQDJDB-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.19
Rot. Bonds7

About 1-[4-[(2-methoxyethylamino)methyl]-2-methylphenyl]pyrrolidine-2-carboxamide

1-[4-[(2-methoxyethylamino)methyl]-2-methylphenyl]pyrrolidine-2-carboxamide (PubChem CID 63061257) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[4-[(2-methoxyethylamino)methyl]-2-methylphenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-[(2-methoxyethylamino)methyl]-2-methylphenyl]pyrrolidine-2-carboxamide
PubChem CID63061257
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name1-[4-[(2-methoxyethylamino)methyl]-2-methylphenyl]pyrrolidine-2-carboxamide
SMILESCOCCNCc1ccc(N2CCCC2C(N)=O)c(C)c1
InChIInChI=1S/C16H25N3O2/c1-12-10-13(11-18-7-9-21-2)5-6-14(12)19-8-3-4-15(19)16(17)20/h5-6,10,15,18H,3-4,7-9,11H2,1-2H3,(H2,17,20)
InChIKeyUQAYQLRDLQDJDB-UHFFFAOYSA-N
XLogP1.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-chloro-2-[(2-methoxyethylamino)methyl]phenyl]pyrrolidine-2-carboxamide
CID 63058753
4-[2-methyl-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83098536
2-methoxy-N-[[3-methyl-4-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 63058712
1-[2-chloro-4-(ethylaminomethyl)phenyl]piperidine-2-carboxamide
CID 81148490
N-[[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]methyl]-2-methoxyethanamine
CID 63060255
N-[[3-chloro-4-(2-methylpyrrolidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 81149735
1-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 80630801
N-[[4-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methyl]ethanamine
CID 55040407
1-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 54934284
[1-[4-(ethylaminomethyl)-2-methylphenyl]pyrrolidin-2-yl]methanol
CID 62121883
[1-[2-methyl-4-(propylaminomethyl)phenyl]piperidin-2-yl]methanol
CID 62121881
4-[2-[(2-methoxyethylamino)methyl]phenyl]morpholine-3-carboxamide
CID 83098525

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methoxyethylamino)methyl]-2-methylphenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[4-[(2-methoxyethylamino)methyl]-2-methylphenyl]pyrrolidine-2-carboxamide (CID 63061257) is 1-[4-[(2-methoxyethylamino)methyl]-2-methylphenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[4-[(2-methoxyethylamino)methyl]-2-methylphenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[4-[(2-methoxyethylamino)methyl]-2-methylphenyl]pyrrolidine-2-carboxamide is COCCNCc1ccc(N2CCCC2C(N)=O)c(C)c1.
What is the InChIKey of 1-[4-[(2-methoxyethylamino)methyl]-2-methylphenyl]pyrrolidine-2-carboxamide?
The InChIKey is UQAYQLRDLQDJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-10-13(11-18-7-9-21-2)5-6-14(12)19-8-3-4-15(19)16(17)20/h5-6,10,15,18H,3-4,7-9,11H2,1-2H3,(H2,17,20).
What are the key properties of 1-[4-[(2-methoxyethylamino)methyl]-2-methylphenyl]pyrrolidine-2-carboxamide?
1-[4-[(2-methoxyethylamino)methyl]-2-methylphenyl]pyrrolidine-2-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methoxyethylamino)methyl]-2-methylphenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 63061257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).