N-(3-methoxypropyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide

C19H28N2O3 — CID 72866537

IUPACN-(3-methoxypropyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCOCCCN(Cc1ccc(C)cc1)C(=O)CN1C(=O)CCC1C
InChIInChI=1S/C19H28N2O3/c1-15-5-8-17(9-6-15)13-20(11-4-12-24-3)19(23)14-21-16(2)7-10-18(21)22/h5-6,8-9,16H,4,7,10-14H2,1-3H3
InChIKeyKJWCLQSNFWFUCD-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.37
Rot. Bonds8

About N-(3-methoxypropyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide

N-(3-methoxypropyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 72866537) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID72866537
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-(3-methoxypropyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCOCCCN(Cc1ccc(C)cc1)C(=O)CN1C(=O)CCC1C
InChIInChI=1S/C19H28N2O3/c1-15-5-8-17(9-6-15)13-20(11-4-12-24-3)19(23)14-21-16(2)7-10-18(21)22/h5-6,8-9,16H,4,7,10-14H2,1-3H3
InChIKeyKJWCLQSNFWFUCD-UHFFFAOYSA-N
XLogP2.37
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide (CID 72866537) is N-(3-methoxypropyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide is COCCCN(Cc1ccc(C)cc1)C(=O)CN1C(=O)CCC1C.
What is the InChIKey of N-(3-methoxypropyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is KJWCLQSNFWFUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-15-5-8-17(9-6-15)13-20(11-4-12-24-3)19(23)14-21-16(2)7-10-18(21)22/h5-6,8-9,16H,4,7,10-14H2,1-3H3.
What are the key properties of N-(3-methoxypropyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide?
N-(3-methoxypropyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 332.44 g/mol, XLogP of 2.37, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 72866537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).