N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide

C25H26N2O4 — CID 112790477

IUPACN-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CN(C)C(=O)C2CC(=O)N(c3cccc4ccccc34)C2)c(OC)c1
InChIInChI=1S/C25H26N2O4/c1-26(15-18-11-12-20(30-2)14-23(18)31-3)25(29)19-13-24(28)27(16-19)22-10-6-8-17-7-4-5-9-21(17)22/h4-12,14,19H,13,15-16H2,1-3H3
InChIKeyKJBZNMNVRGUVPC-UHFFFAOYSA-N
MW418.49 g/mol
LogP3.87
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide (PubChem CID 112790477) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
PubChem CID112790477
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CN(C)C(=O)C2CC(=O)N(c3cccc4ccccc34)C2)c(OC)c1
InChIInChI=1S/C25H26N2O4/c1-26(15-18-11-12-20(30-2)14-23(18)31-3)25(29)19-13-24(28)27(16-19)22-10-6-8-17-7-4-5-9-21(17)22/h4-12,14,19H,13,15-16H2,1-3H3
InChIKeyKJBZNMNVRGUVPC-UHFFFAOYSA-N
XLogP3.87
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(2,4-dimethoxyphenyl)methyl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 94090987
(3S)-1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 9449928
N-(2,5-dimethoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 46423944
1-(2-bromophenyl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 42952700
3-[methyl-(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 119233129
(2S)-4-acetyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 9205945
(3R)-1-(2,5-dimethoxyphenyl)-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 9396041
1-(2,5-dimethoxyphenyl)-N-methyl-5-oxo-N-(3-phenoxypropyl)pyrrolidine-3-carboxamide
CID 55654265
(3S)-N-(2-methoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26914917
(3S)-N-(4,5-dimethoxy-2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26209339
N-(4-chloro-2,5-dimethoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 42999548
(3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 42057854

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide (CID 112790477) is N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide is COc1ccc(CN(C)C(=O)C2CC(=O)N(c3cccc4ccccc34)C2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KJBZNMNVRGUVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-26(15-18-11-12-20(30-2)14-23(18)31-3)25(29)19-13-24(28)27(16-19)22-10-6-8-17-7-4-5-9-21(17)22/h4-12,14,19H,13,15-16H2,1-3H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 418.49 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 112790477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).