2-(dimethylamino)ethyl N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamate

C17H25N3O3 — CID 7543817

IUPAC2-(dimethylamino)ethyl N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamate
SMILESCc1ccc(N2C[C@H](NC(=O)OCCN(C)C)CC2=O)cc1C
InChIInChI=1S/C17H25N3O3/c1-12-5-6-15(9-13(12)2)20-11-14(10-16(20)21)18-17(22)23-8-7-19(3)4/h5-6,9,14H,7-8,10-11H2,1-4H3,(H,18,22)/t14-/m1/s1
InChIKeyCUFZFENYHUZGPW-CQSZACIVSA-N
MW319.41 g/mol
LogP1.70
Rot. Bonds5

About 2-(dimethylamino)ethyl N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamate

2-(dimethylamino)ethyl N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamate (PubChem CID 7543817) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamate
PubChem CID7543817
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name2-(dimethylamino)ethyl N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamate
SMILESCc1ccc(N2C[C@H](NC(=O)OCCN(C)C)CC2=O)cc1C
InChIInChI=1S/C17H25N3O3/c1-12-5-6-15(9-13(12)2)20-11-14(10-16(20)21)18-17(22)23-8-7-19(3)4/h5-6,9,14H,7-8,10-11H2,1-4H3,(H,18,22)/t14-/m1/s1
InChIKeyCUFZFENYHUZGPW-CQSZACIVSA-N
XLogP1.70
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 7547596
1,1-bis(2-chloroethyl)-3-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969513
1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea
CID 7215063
methyl N-[[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]carbamate
CID 7543831
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 43970862
ethyl 1-[[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate
CID 7542981
ethyl 1-[[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate
CID 7542980
1-(2-chloroethyl)-3-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969553
1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
CID 7543094
1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methylpropyl)urea
CID 7543097
1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methylpropyl)urea
CID 7543099
1-butyl-3-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969554

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamate?
The IUPAC name of 2-(dimethylamino)ethyl N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamate (CID 7543817) is 2-(dimethylamino)ethyl N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamate.
What is the SMILES notation for 2-(dimethylamino)ethyl N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamate?
The canonical SMILES for 2-(dimethylamino)ethyl N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamate is Cc1ccc(N2C[C@H](NC(=O)OCCN(C)C)CC2=O)cc1C.
What is the InChIKey of 2-(dimethylamino)ethyl N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamate?
The InChIKey is CUFZFENYHUZGPW-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12-5-6-15(9-13(12)2)20-11-14(10-16(20)21)18-17(22)23-8-7-19(3)4/h5-6,9,14H,7-8,10-11H2,1-4H3,(H,18,22)/t14-/m1/s1.
What are the key properties of 2-(dimethylamino)ethyl N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamate?
2-(dimethylamino)ethyl N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamate has a molecular weight of 319.41 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamate is sourced from PubChem (CID 7543817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).