3-[[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]carbamoyl]bicyclo[1.1.1]pentane-1-carboxylic acid

C19H24N2O4 — CID 146102908

IUPAC3-[[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]carbamoyl]bicyclo[1.1.1]pentane-1-carboxylic acid
SMILESCc1ccc(NC(=O)C23CC(C(=O)O)(C2)C3)cc1C(=O)N(C)C(C)C
InChIInChI=1S/C19H24N2O4/c1-11(2)21(4)15(22)14-7-13(6-5-12(14)3)20-16(23)18-8-19(9-18,10-18)17(24)25/h5-7,11H,8-10H2,1-4H3,(H,20,23)(H,24,25)
InChIKeyGQUMLIDNMUCNPK-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.67
Rot. Bonds5

About 3-[[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]carbamoyl]bicyclo[1.1.1]pentane-1-carboxylic acid

3-[[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]carbamoyl]bicyclo[1.1.1]pentane-1-carboxylic acid (PubChem CID 146102908) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 3-[[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]carbamoyl]bicyclo[1.1.1]pentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]carbamoyl]bicyclo[1.1.1]pentane-1-carboxylic acid
PubChem CID146102908
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name3-[[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]carbamoyl]bicyclo[1.1.1]pentane-1-carboxylic acid
SMILESCc1ccc(NC(=O)C23CC(C(=O)O)(C2)C3)cc1C(=O)N(C)C(C)C
InChIInChI=1S/C19H24N2O4/c1-11(2)21(4)15(22)14-7-13(6-5-12(14)3)20-16(23)18-8-19(9-18,10-18)17(24)25/h5-7,11H,8-10H2,1-4H3,(H,20,23)(H,24,25)
InChIKeyGQUMLIDNMUCNPK-UHFFFAOYSA-N
XLogP2.67
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]carbamoyl]bicyclo[1.1.1]pentane-1-carboxylic acid with MolForge

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Related Compounds

4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]thiophene-3-carboxamide
CID 99838544
1-[[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122091808
N,2-dimethyl-N-propan-2-yl-5-(pyridin-2-ylmethylcarbamoylamino)benzamide
CID 99839674
4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]-1,3-thiazole-5-carboxamide
CID 99838573
5-[(1-aminocyclopropanecarbonyl)amino]-N,N,2-trimethylbenzamide
CID 119808581
5-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide;hydrochloride
CID 119337791
2-fluoro-5-[[methyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 61183194
2-methyl-5-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid
CID 63653539
5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid
CID 63653024
2-methyl-5-[[methyl(3-methylbutyl)carbamoyl]amino]benzoic acid
CID 63653370
5-[(2-chloroacetyl)amino]-N,N,2-trimethylbenzamide
CID 166403824
5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N,N,2-trimethylbenzamide;hydrochloride
CID 119808600

Frequently Asked Questions

What is the IUPAC name of 3-[[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]carbamoyl]bicyclo[1.1.1]pentane-1-carboxylic acid?
The IUPAC name of 3-[[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]carbamoyl]bicyclo[1.1.1]pentane-1-carboxylic acid (CID 146102908) is 3-[[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]carbamoyl]bicyclo[1.1.1]pentane-1-carboxylic acid.
What is the SMILES notation for 3-[[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]carbamoyl]bicyclo[1.1.1]pentane-1-carboxylic acid?
The canonical SMILES for 3-[[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]carbamoyl]bicyclo[1.1.1]pentane-1-carboxylic acid is Cc1ccc(NC(=O)C23CC(C(=O)O)(C2)C3)cc1C(=O)N(C)C(C)C.
What is the InChIKey of 3-[[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]carbamoyl]bicyclo[1.1.1]pentane-1-carboxylic acid?
The InChIKey is GQUMLIDNMUCNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-11(2)21(4)15(22)14-7-13(6-5-12(14)3)20-16(23)18-8-19(9-18,10-18)17(24)25/h5-7,11H,8-10H2,1-4H3,(H,20,23)(H,24,25).
What are the key properties of 3-[[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]carbamoyl]bicyclo[1.1.1]pentane-1-carboxylic acid?
3-[[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]carbamoyl]bicyclo[1.1.1]pentane-1-carboxylic acid has a molecular weight of 344.41 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]carbamoyl]bicyclo[1.1.1]pentane-1-carboxylic acid is sourced from PubChem (CID 146102908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).