N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;ethylbenzene;4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide

C31H51N3O4 — CID 143294968

About N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;ethylbenzene;4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide

N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;ethylbenzene;4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide (PubChem CID 143294968) has the molecular formula C31H51N3O4 and a molecular weight of 529.77 g/mol. Its IUPAC name is N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;ethylbenzene;4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide.

Molecular Properties

• Compound Name: N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;ethylbenzene;4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide
• PubChem CID: 143294968
• Molecular Formula: C31H51N3O4
• Molecular Weight: 529.77 g/mol
• Exact Mass: 529.39
• IUPAC Name: N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;ethylbenzene;4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide
• SMILES: CCc1ccccc1.CN(C)CC1CCNC1.COCCCOc1cc(C(=O)N(C)C(C)C)ccc1OC
• InChI: InChI=1S/C16H25NO4.C8H10.C7H16N2/c1-12(2)17(3)16(18)13-7-8-14(20-5)15(11-13)21-10-6-9-19-4;1-2-8-6-4-3-5-7-8;1-9(2)6-7-3-4-8-5-7/h7-8,11-12H,6,9-10H2,1-5H3;3-7H,2H2,1H3;7-8H,3-6H2,1-2H3
• InChIKey: HANANMFJDIQJBP-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 63.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.77
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;ethylbenzene;4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide?

The IUPAC name of N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;ethylbenzene;4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide (CID 143294968) is N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;ethylbenzene;4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide.

What is the SMILES notation for N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;ethylbenzene;4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide?

The canonical SMILES for N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;ethylbenzene;4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide is CCc1ccccc1.CN(C)CC1CCNC1.COCCCOc1cc(C(=O)N(C)C(C)C)ccc1OC.

What is the InChIKey of N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;ethylbenzene;4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide?

The InChIKey is HANANMFJDIQJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4.C8H10.C7H16N2/c1-12(2)17(3)16(18)13-7-8-14(20-5)15(11-13)21-10-6-9-19-4;1-2-8-6-4-3-5-7-8;1-9(2)6-7-3-4-8-5-7/h7-8,11-12H,6,9-10H2,1-5H3;3-7H,2H2,1H3;7-8H,3-6H2,1-2H3.

What are the key properties of N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;ethylbenzene;4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide?

N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;ethylbenzene;4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide has a molecular weight of 529.77 g/mol, XLogP of 5.00, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;ethylbenzene;4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 143294968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).