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

C19H27N3O3 — CID 18155158

IUPAC2,2-dimethyl-N-[3-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropyl]propanamide
SMILESCc1cc(NC(=O)CCNC(=O)C(C)(C)C)ccc1N1CCCC1=O
InChIInChI=1S/C19H27N3O3/c1-13-12-14(7-8-15(13)22-11-5-6-17(22)24)21-16(23)9-10-20-18(25)19(2,3)4/h7-8,12H,5-6,9-11H2,1-4H3,(H,20,25)(H,21,23)
InChIKeyKNWMHYGGCKVFOV-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.61
Rot. Bonds5

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

2,2-dimethyl-N-[3-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropyl]propanamide (PubChem CID 18155158) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropyl]propanamide
PubChem CID18155158
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2,2-dimethyl-N-[3-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropyl]propanamide
SMILESCc1cc(NC(=O)CCNC(=O)C(C)(C)C)ccc1N1CCCC1=O
InChIInChI=1S/C19H27N3O3/c1-13-12-14(7-8-15(13)22-11-5-6-17(22)24)21-16(23)9-10-20-18(25)19(2,3)4/h7-8,12H,5-6,9-11H2,1-4H3,(H,20,25)(H,21,23)
InChIKeyKNWMHYGGCKVFOV-UHFFFAOYSA-N
XLogP2.61
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pentanamide
CID 43347098
[2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate
CID 7686604
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(propan-2-ylamino)acetamide
CID 60718577
3-(4-ethylphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 24601082
[2-[3-methyl-4-(2-oxopiperidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate
CID 7687437
N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-propyloxamide
CID 30679260
2,2-dimethyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 7687770
2,2-dimethyl-N-[4-oxo-4-[3-(2-oxopyrrolidin-1-yl)anilino]butyl]propanamide
CID 32756509
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 24601100
2-(3-chlorophenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 100517923
1-[2-methyl-4-(propylamino)phenyl]pyrrolidin-2-one
CID 63090031
4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid
CID 45393767

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropyl]propanamide (CID 18155158) is 2,2-dimethyl-N-[3-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropyl]propanamide is Cc1cc(NC(=O)CCNC(=O)C(C)(C)C)ccc1N1CCCC1=O.
What is the InChIKey of 2,2-dimethyl-N-[3-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropyl]propanamide?
The InChIKey is KNWMHYGGCKVFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13-12-14(7-8-15(13)22-11-5-6-17(22)24)21-16(23)9-10-20-18(25)19(2,3)4/h7-8,12H,5-6,9-11H2,1-4H3,(H,20,25)(H,21,23).
What are the key properties of 2,2-dimethyl-N-[3-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropyl]propanamide?
2,2-dimethyl-N-[3-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropyl]propanamide has a molecular weight of 345.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropyl]propanamide is sourced from PubChem (CID 18155158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).