N-[2-(dimethylamino)-1-phenylethyl]-4-methoxypyrrolidine-2-carboxamide

C16H25N3O2 — CID 61248362

IUPACN-[2-(dimethylamino)-1-phenylethyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NC(CN(C)C)c2ccccc2)C1
InChIInChI=1S/C16H25N3O2/c1-19(2)11-15(12-7-5-4-6-8-12)18-16(20)14-9-13(21-3)10-17-14/h4-8,13-15,17H,9-11H2,1-3H3,(H,18,20)
InChIKeyMJBNNGCXJNBLKK-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.78
Rot. Bonds6

About N-[2-(dimethylamino)-1-phenylethyl]-4-methoxypyrrolidine-2-carboxamide

N-[2-(dimethylamino)-1-phenylethyl]-4-methoxypyrrolidine-2-carboxamide (PubChem CID 61248362) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)-1-phenylethyl]-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-1-phenylethyl]-4-methoxypyrrolidine-2-carboxamide
PubChem CID61248362
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[2-(dimethylamino)-1-phenylethyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NC(CN(C)C)c2ccccc2)C1
InChIInChI=1S/C16H25N3O2/c1-19(2)11-15(12-7-5-4-6-8-12)18-16(20)14-9-13(21-3)10-17-14/h4-8,13-15,17H,9-11H2,1-3H3,(H,18,20)
InChIKeyMJBNNGCXJNBLKK-UHFFFAOYSA-N
XLogP0.78
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(dimethylamino)-1-phenylethyl]-4-methoxypyrrolidine-2-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

4-methoxy-N-(1-phenylethyl)pyrrolidine-2-carboxamide
CID 61214153
N-[1-(3-chlorophenyl)propyl]-4-methoxypyrrolidine-2-carboxamide
CID 61214763
N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methoxypyrrolidine-2-carboxamide
CID 61215342
4-methoxy-N-phenylpyrrolidine-2-carboxamide
CID 61213145
4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide
CID 114010288
N-[4-(dimethylamino)butan-2-yl]-4-methoxypyrrolidine-2-carboxamide
CID 54968386
4-methoxy-N-[1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 61260072
4-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81373074
N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 81366720
4-methoxy-N-propan-2-ylpyrrolidine-2-carboxamide
CID 61213428
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 81349681
4-methoxy-N-[1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 61213616

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-1-phenylethyl]-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-1-phenylethyl]-4-methoxypyrrolidine-2-carboxamide (CID 61248362) is N-[2-(dimethylamino)-1-phenylethyl]-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-1-phenylethyl]-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-1-phenylethyl]-4-methoxypyrrolidine-2-carboxamide is COC1CNC(C(=O)NC(CN(C)C)c2ccccc2)C1.
What is the InChIKey of N-[2-(dimethylamino)-1-phenylethyl]-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is MJBNNGCXJNBLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-19(2)11-15(12-7-5-4-6-8-12)18-16(20)14-9-13(21-3)10-17-14/h4-8,13-15,17H,9-11H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(dimethylamino)-1-phenylethyl]-4-methoxypyrrolidine-2-carboxamide?
N-[2-(dimethylamino)-1-phenylethyl]-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-1-phenylethyl]-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 61248362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).