2-(2,3-dimethylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide

C22H26N2O3 — CID 43077961

IUPAC2-(2,3-dimethylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
SMILESCc1cccc(OC(C)C(=O)NCc2ccc(N3CCCC3=O)cc2)c1C
InChIInChI=1S/C22H26N2O3/c1-15-6-4-7-20(16(15)2)27-17(3)22(26)23-14-18-9-11-19(12-10-18)24-13-5-8-21(24)25/h4,6-7,9-12,17H,5,8,13-14H2,1-3H3,(H,23,26)
InChIKeyUQEXBKWYFCPERU-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.51
Rot. Bonds6

About 2-(2,3-dimethylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide

2-(2,3-dimethylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide (PubChem CID 43077961) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
PubChem CID43077961
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-(2,3-dimethylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
SMILESCc1cccc(OC(C)C(=O)NCc2ccc(N3CCCC3=O)cc2)c1C
InChIInChI=1S/C22H26N2O3/c1-15-6-4-7-20(16(15)2)27-17(3)22(26)23-14-18-9-11-19(12-10-18)24-13-5-8-21(24)25/h4,6-7,9-12,17H,5,8,13-14H2,1-3H3,(H,23,26)
InChIKeyUQEXBKWYFCPERU-UHFFFAOYSA-N
XLogP3.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-tert-butylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 46490501
2-(2,4-dichlorophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;ethane
CID 144509414
(2S)-N-[(4-chlorophenyl)methyl]-2-(2,3-dimethylphenoxy)propanamide
CID 26546234
N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 9425412
[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 8544713
2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24622415
2-methyl-N-[(2S)-4-methyl-1-oxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]pentan-2-yl]benzamide
CID 8589123
2-(2-methylphenyl)sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589035
(2S)-2-amino-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide;hydrochloride
CID 119694543
2-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 27171286
2-(2,3-dimethylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide
CID 133218986
(2S,3S)-2-(carbamoylamino)-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide
CID 8589059

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide (CID 43077961) is 2-(2,3-dimethylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide is Cc1cccc(OC(C)C(=O)NCc2ccc(N3CCCC3=O)cc2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide?
The InChIKey is UQEXBKWYFCPERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15-6-4-7-20(16(15)2)27-17(3)22(26)23-14-18-9-11-19(12-10-18)24-13-5-8-21(24)25/h4,6-7,9-12,17H,5,8,13-14H2,1-3H3,(H,23,26).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide?
2-(2,3-dimethylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide has a molecular weight of 366.46 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 43077961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).