N-(2,5-dimethylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide

C22H27N3O2 — CID 42935087

IUPACN-(2,5-dimethylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
SMILESCc1ccc(C)c(NC(=O)C(C)Nc2ccc(N3CCCC3=O)c(C)c2)c1
InChIInChI=1S/C22H27N3O2/c1-14-7-8-15(2)19(12-14)24-22(27)17(4)23-18-9-10-20(16(3)13-18)25-11-5-6-21(25)26/h7-10,12-13,17,23H,5-6,11H2,1-4H3,(H,24,27)
InChIKeyUGIHCVQJTLZSSX-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.18
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide

N-(2,5-dimethylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide (PubChem CID 42935087) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
PubChem CID42935087
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-(2,5-dimethylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
SMILESCc1ccc(C)c(NC(=O)C(C)Nc2ccc(N3CCCC3=O)c(C)c2)c1
InChIInChI=1S/C22H27N3O2/c1-14-7-8-15(2)19(12-14)24-22(27)17(4)23-18-9-10-20(16(3)13-18)25-11-5-6-21(25)26/h7-10,12-13,17,23H,5-6,11H2,1-4H3,(H,24,27)
InChIKeyUGIHCVQJTLZSSX-UHFFFAOYSA-N
XLogP4.18
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 25376489
N-(3-chloro-2-methylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 42935089
2,5-dimethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 42140184
(2R)-N-(2-methylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 25328467
1-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100670865
(2S)-N-(2,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-2-phenylacetamide
CID 8967220
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(propan-2-ylamino)acetamide
CID 60718577
N'-(3,5-dimethylphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679282
N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-propan-2-ylphenyl)oxamide
CID 121054590
(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-phenylpropanamide
CID 41397114
4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid
CID 45393767
1-[(1S)-1-(2,4-dimethylphenyl)-2-methylpropyl]-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100747067

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide (CID 42935087) is N-(2,5-dimethylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide is Cc1ccc(C)c(NC(=O)C(C)Nc2ccc(N3CCCC3=O)c(C)c2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The InChIKey is UGIHCVQJTLZSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-14-7-8-15(2)19(12-14)24-22(27)17(4)23-18-9-10-20(16(3)13-18)25-11-5-6-21(25)26/h7-10,12-13,17,23H,5-6,11H2,1-4H3,(H,24,27).
What are the key properties of N-(2,5-dimethylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
N-(2,5-dimethylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide has a molecular weight of 365.48 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide is sourced from PubChem (CID 42935087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).