N-(2-amino-2-oxoethyl)-1-(2,3-dimethylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

C18H25N3O3 — CID 112794097

IUPACN-(2-amino-2-oxoethyl)-1-(2,3-dimethylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC(C(=O)N(CC(N)=O)C(C)C)CC2=O)c1C
InChIInChI=1S/C18H25N3O3/c1-11(2)20(10-16(19)22)18(24)14-8-17(23)21(9-14)15-7-5-6-12(3)13(15)4/h5-7,11,14H,8-10H2,1-4H3,(H2,19,22)
InChIKeyWSAYWOBBHXIZKU-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.38
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-1-(2,3-dimethylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

N-(2-amino-2-oxoethyl)-1-(2,3-dimethylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 112794097) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-1-(2,3-dimethylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-1-(2,3-dimethylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID112794097
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-(2-amino-2-oxoethyl)-1-(2,3-dimethylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC(C(=O)N(CC(N)=O)C(C)C)CC2=O)c1C
InChIInChI=1S/C18H25N3O3/c1-11(2)20(10-16(19)22)18(24)14-8-17(23)21(9-14)15-7-5-6-12(3)13(15)4/h5-7,11,14H,8-10H2,1-4H3,(H2,19,22)
InChIKeyWSAYWOBBHXIZKU-UHFFFAOYSA-N
XLogP1.38
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 119209621
(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 673097
2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-propan-2-ylamino]acetic acid
CID 119198514
N-(3-aminobutyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119498292
N-[2-(tert-butylamino)-2-oxoethyl]-1-(2,3-dimethylphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 51156735
(3R)-3-[[(3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 97324448
(2S)-2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119238624
(4S)-1-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 29262484
(3R)-N-cyclopentyl-1-(2,3-dimethylphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 51966524
1-(2,3-dimethylphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 42997194
N-[3-(aminomethyl)pentan-3-yl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119571084
2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 119137112

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-1-(2,3-dimethylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-1-(2,3-dimethylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (CID 112794097) is N-(2-amino-2-oxoethyl)-1-(2,3-dimethylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-1-(2,3-dimethylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-1-(2,3-dimethylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is Cc1cccc(N2CC(C(=O)N(CC(N)=O)C(C)C)CC2=O)c1C.
What is the InChIKey of N-(2-amino-2-oxoethyl)-1-(2,3-dimethylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is WSAYWOBBHXIZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-11(2)20(10-16(19)22)18(24)14-8-17(23)21(9-14)15-7-5-6-12(3)13(15)4/h5-7,11,14H,8-10H2,1-4H3,(H2,19,22).
What are the key properties of N-(2-amino-2-oxoethyl)-1-(2,3-dimethylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
N-(2-amino-2-oxoethyl)-1-(2,3-dimethylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-1-(2,3-dimethylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 112794097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).