N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-propylpyrrolidine-3-carboxamide

C15H29N3O3 — CID 63143518

IUPACN-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)N(C)CC(=O)NCCCOC)CCNC1
InChIInChI=1S/C15H29N3O3/c1-4-6-15(7-9-16-12-15)14(20)18(2)11-13(19)17-8-5-10-21-3/h16H,4-12H2,1-3H3,(H,17,19)
InChIKeyFPVXNLNKRIMJBH-UHFFFAOYSA-N
MW299.42 g/mol
LogP0.38
Rot. Bonds9

About N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-propylpyrrolidine-3-carboxamide

N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-propylpyrrolidine-3-carboxamide (PubChem CID 63143518) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-propylpyrrolidine-3-carboxamide
PubChem CID63143518
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC NameN-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)N(C)CC(=O)NCCCOC)CCNC1
InChIInChI=1S/C15H29N3O3/c1-4-6-15(7-9-16-12-15)14(20)18(2)11-13(19)17-8-5-10-21-3/h16H,4-12H2,1-3H3,(H,17,19)
InChIKeyFPVXNLNKRIMJBH-UHFFFAOYSA-N
XLogP0.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[methyl-(3-propylpyrrolidine-3-carbonyl)amino]acetate
CID 63143463
methyl (3R)-3-(2-methoxyethyl)pyrrolidine-3-carboxylate
CID 95970335
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-propylpiperidine-4-carboxamide
CID 63129598
3-(3-methoxypropyl)pyrrolidine-3-carboxylic acid
CID 63141172
N-[3-(diethylamino)propyl]-3-propylpyrrolidine-3-carboxamide
CID 63138470
N,N-bis(2-amino-2-oxoethyl)-3-propylpyrrolidine-3-carboxamide
CID 63142003
N-(3-methoxypropyl)-3-methylpyrrolidine-3-carboxamide
CID 63138395
N-methyl-N-[(2-methylcyclopropyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63866435
N-[(2-hydroxyphenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 63143991
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 60707643
N-(1-hydroxypropan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 104551752
N-methoxy-N-methyl-3-propylpiperidine-3-carboxamide
CID 63135339

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-propylpyrrolidine-3-carboxamide (CID 63143518) is N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)N(C)CC(=O)NCCCOC)CCNC1.
What is the InChIKey of N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-propylpyrrolidine-3-carboxamide?
The InChIKey is FPVXNLNKRIMJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-4-6-15(7-9-16-12-15)14(20)18(2)11-13(19)17-8-5-10-21-3/h16H,4-12H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-propylpyrrolidine-3-carboxamide?
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-propylpyrrolidine-3-carboxamide has a molecular weight of 299.42 g/mol, XLogP of 0.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63143518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).