4-(4-carbamoyl-3-methylanilino)-3-methyloxolane-3-carboxylic acid

C14H18N2O4 — CID 81272965

IUPAC4-(4-carbamoyl-3-methylanilino)-3-methyloxolane-3-carboxylic acid
SMILESCc1cc(NC2COCC2(C)C(=O)O)ccc1C(N)=O
InChIInChI=1S/C14H18N2O4/c1-8-5-9(3-4-10(8)12(15)17)16-11-6-20-7-14(11,2)13(18)19/h3-5,11,16H,6-7H2,1-2H3,(H2,15,17)(H,18,19)
InChIKeyCYUUXFNCZTUHDH-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.00
Rot. Bonds4

About 4-(4-carbamoyl-3-methylanilino)-3-methyloxolane-3-carboxylic acid

4-(4-carbamoyl-3-methylanilino)-3-methyloxolane-3-carboxylic acid (PubChem CID 81272965) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-(4-carbamoyl-3-methylanilino)-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-carbamoyl-3-methylanilino)-3-methyloxolane-3-carboxylic acid
PubChem CID81272965
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-(4-carbamoyl-3-methylanilino)-3-methyloxolane-3-carboxylic acid
SMILESCc1cc(NC2COCC2(C)C(=O)O)ccc1C(N)=O
InChIInChI=1S/C14H18N2O4/c1-8-5-9(3-4-10(8)12(15)17)16-11-6-20-7-14(11,2)13(18)19/h3-5,11,16H,6-7H2,1-2H3,(H2,15,17)(H,18,19)
InChIKeyCYUUXFNCZTUHDH-UHFFFAOYSA-N
XLogP1.00
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-carbamoyl-5-methylanilino)-3-methyloxolane-3-carboxylic acid
CID 66250103
3-methyl-4-(4-methyl-3-nitroanilino)oxolane-3-carboxylic acid
CID 66249715
4-(4-carbamoyl-2-chloroanilino)-3-methyloxolane-3-carboxylic acid
CID 66249127
4-[(4-carbamoylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66256427
4-[(4-hydroxy-3-methylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 107675005
4-(azetidin-3-ylamino)-2-methylbenzamide
CID 81279115
4-[(3-bromo-4-methylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 81472353
4-[(3,5-dimethylphenyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid
CID 66251119
3-methyl-4-[(2-methyl-5-methylsulfanylbenzoyl)amino]oxolane-3-carboxylic acid
CID 66255670
4-[[2-(3-aminophenyl)acetyl]amino]-3-methyloxolane-3-carboxylic acid
CID 66249930
4-(2-ethylsulfonylanilino)-3-methyloxolane-3-carboxylic acid
CID 66250693
4-[(2,4-dimethylphenyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid
CID 66248181

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbamoyl-3-methylanilino)-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-(4-carbamoyl-3-methylanilino)-3-methyloxolane-3-carboxylic acid (CID 81272965) is 4-(4-carbamoyl-3-methylanilino)-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-(4-carbamoyl-3-methylanilino)-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-(4-carbamoyl-3-methylanilino)-3-methyloxolane-3-carboxylic acid is Cc1cc(NC2COCC2(C)C(=O)O)ccc1C(N)=O.
What is the InChIKey of 4-(4-carbamoyl-3-methylanilino)-3-methyloxolane-3-carboxylic acid?
The InChIKey is CYUUXFNCZTUHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-8-5-9(3-4-10(8)12(15)17)16-11-6-20-7-14(11,2)13(18)19/h3-5,11,16H,6-7H2,1-2H3,(H2,15,17)(H,18,19).
What are the key properties of 4-(4-carbamoyl-3-methylanilino)-3-methyloxolane-3-carboxylic acid?
4-(4-carbamoyl-3-methylanilino)-3-methyloxolane-3-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbamoyl-3-methylanilino)-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 81272965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).