N-[3-(dimethylamino)propyl]-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide

C19H29N3O4 — CID 113185402

IUPACN-[3-(dimethylamino)propyl]-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(OCCN2CC(C(=O)NCCCN(C)C)CC2=O)cc1
InChIInChI=1S/C19H29N3O4/c1-21(2)10-4-9-20-19(24)15-13-18(23)22(14-15)11-12-26-17-7-5-16(25-3)6-8-17/h5-8,15H,4,9-14H2,1-3H3,(H,20,24)
InChIKeyIPFFUOHYJYCSPB-UHFFFAOYSA-N
MW363.46 g/mol
LogP0.99
Rot. Bonds10

About N-[3-(dimethylamino)propyl]-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide

N-[3-(dimethylamino)propyl]-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 113185402) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID113185402
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC NameN-[3-(dimethylamino)propyl]-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(OCCN2CC(C(=O)NCCCN(C)C)CC2=O)cc1
InChIInChI=1S/C19H29N3O4/c1-21(2)10-4-9-20-19(24)15-13-18(23)22(14-15)11-12-26-17-7-5-16(25-3)6-8-17/h5-8,15H,4,9-14H2,1-3H3,(H,20,24)
InChIKeyIPFFUOHYJYCSPB-UHFFFAOYSA-N
XLogP0.99
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-methoxyphenoxy)ethyl]-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113185431
methyl 1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168693454
(3R)-1-butyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 9397964
1-[2-(4-methoxyphenyl)ethyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113184609
N-[(2-fluorophenyl)methyl]-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113185414
N-[3-(dimethylamino)propyl]-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185267
1-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182823
N-butyl-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 108787285
(3R)-N-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9375419
N-[3-(dimethylamino)propyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188204
1-benzyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 4827205
1-butyl-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182004

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 113185402) is N-[3-(dimethylamino)propyl]-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(OCCN2CC(C(=O)NCCCN(C)C)CC2=O)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IPFFUOHYJYCSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-21(2)10-4-9-20-19(24)15-13-18(23)22(14-15)11-12-26-17-7-5-16(25-3)6-8-17/h5-8,15H,4,9-14H2,1-3H3,(H,20,24).
What are the key properties of N-[3-(dimethylamino)propyl]-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide?
N-[3-(dimethylamino)propyl]-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 0.99, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113185402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).