3-acetamido-3-(4-methoxyphenyl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]propanamide

C24H29N3O4 — CID 55672203

IUPAC3-acetamido-3-(4-methoxyphenyl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESCOc1ccc(C(CC(=O)Nc2c(C)cccc2C(=O)N2CCCC2)NC(C)=O)cc1
InChIInChI=1S/C24H29N3O4/c1-16-7-6-8-20(24(30)27-13-4-5-14-27)23(16)26-22(29)15-21(25-17(2)28)18-9-11-19(31-3)12-10-18/h6-12,21H,4-5,13-15H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyDZSQFODIYAITID-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.45
Rot. Bonds7

About 3-acetamido-3-(4-methoxyphenyl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]propanamide

3-acetamido-3-(4-methoxyphenyl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]propanamide (PubChem CID 55672203) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 3-acetamido-3-(4-methoxyphenyl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-methoxyphenyl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]propanamide
PubChem CID55672203
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name3-acetamido-3-(4-methoxyphenyl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESCOc1ccc(C(CC(=O)Nc2c(C)cccc2C(=O)N2CCCC2)NC(C)=O)cc1
InChIInChI=1S/C24H29N3O4/c1-16-7-6-8-20(24(30)27-13-4-5-14-27)23(16)26-22(29)15-21(25-17(2)28)18-9-11-19(31-3)12-10-18/h6-12,21H,4-5,13-15H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyDZSQFODIYAITID-UHFFFAOYSA-N
XLogP3.45
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-acetamido-N-(2,6-diethylphenyl)-3-(4-methoxyphenyl)propanamide
CID 40812809
3-acetamido-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 78805825
3-acetamido-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(4-methoxyphenyl)propanamide
CID 43018873
N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 86980028
N-[1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-3-oxopropyl]acetamide
CID 55919317
N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 55778110
3-acetamido-N-(2-ethylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17436555
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-pyridin-2-ylpropanamide
CID 29466251
(3R)-3-acetamido-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
CID 30685077
3-acetamido-3-(4-methoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 86906508
3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
CID 46689011
(3S)-3-acetamido-N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 51725796

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-methoxyphenyl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 3-acetamido-3-(4-methoxyphenyl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]propanamide (CID 55672203) is 3-acetamido-3-(4-methoxyphenyl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 3-acetamido-3-(4-methoxyphenyl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 3-acetamido-3-(4-methoxyphenyl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]propanamide is COc1ccc(C(CC(=O)Nc2c(C)cccc2C(=O)N2CCCC2)NC(C)=O)cc1.
What is the InChIKey of 3-acetamido-3-(4-methoxyphenyl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The InChIKey is DZSQFODIYAITID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-16-7-6-8-20(24(30)27-13-4-5-14-27)23(16)26-22(29)15-21(25-17(2)28)18-9-11-19(31-3)12-10-18/h6-12,21H,4-5,13-15H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 3-acetamido-3-(4-methoxyphenyl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]propanamide?
3-acetamido-3-(4-methoxyphenyl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]propanamide has a molecular weight of 423.51 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-methoxyphenyl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 55672203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).