2-[[4-methyl-3-(oxan-4-ylmethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid

C19H25NO5 — CID 120976327

IUPAC2-[[4-methyl-3-(oxan-4-ylmethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESCc1ccc(NC(=O)C2CCC2C(=O)O)cc1OCC1CCOCC1
InChIInChI=1S/C19H25NO5/c1-12-2-3-14(20-18(21)15-4-5-16(15)19(22)23)10-17(12)25-11-13-6-8-24-9-7-13/h2-3,10,13,15-16H,4-9,11H2,1H3,(H,20,21)(H,22,23)
InChIKeyRDRRVJOGBNHTMV-UHFFFAOYSA-N
MW347.41 g/mol
LogP2.85
Rot. Bonds6

About 2-[[4-methyl-3-(oxan-4-ylmethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid

2-[[4-methyl-3-(oxan-4-ylmethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120976327) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is 2-[[4-methyl-3-(oxan-4-ylmethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-methyl-3-(oxan-4-ylmethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120976327
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Name2-[[4-methyl-3-(oxan-4-ylmethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESCc1ccc(NC(=O)C2CCC2C(=O)O)cc1OCC1CCOCC1
InChIInChI=1S/C19H25NO5/c1-12-2-3-14(20-18(21)15-4-5-16(15)19(22)23)10-17(12)25-11-13-6-8-24-9-7-13/h2-3,10,13,15-16H,4-9,11H2,1H3,(H,20,21)(H,22,23)
InChIKeyRDRRVJOGBNHTMV-UHFFFAOYSA-N
XLogP2.85
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide
CID 119797799
1-[[4-methyl-3-(oxan-4-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122085465
3,3-dimethyl-5-[4-methyl-3-(oxan-4-ylmethoxy)anilino]-5-oxopentanoic acid
CID 119137975
2-methyl-3-(methylamino)-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]propanamide;hydrochloride
CID 119797808
N-[3-(cyclohexylmethoxy)-4-methylphenyl]morpholine-3-carboxamide
CID 119797837
6-amino-5-chloro-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyridine-3-carboxamide
CID 166213173
1-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 126791849
N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939630
4-methyl-3-(oxolan-3-ylmethoxy)benzoic acid
CID 61379995
2-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974815
2-[(3-chloro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2856466
2-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119185309

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-3-(oxan-4-ylmethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[[4-methyl-3-(oxan-4-ylmethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid (CID 120976327) is 2-[[4-methyl-3-(oxan-4-ylmethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-methyl-3-(oxan-4-ylmethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[[4-methyl-3-(oxan-4-ylmethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid is Cc1ccc(NC(=O)C2CCC2C(=O)O)cc1OCC1CCOCC1.
What is the InChIKey of 2-[[4-methyl-3-(oxan-4-ylmethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is RDRRVJOGBNHTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5/c1-12-2-3-14(20-18(21)15-4-5-16(15)19(22)23)10-17(12)25-11-13-6-8-24-9-7-13/h2-3,10,13,15-16H,4-9,11H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-[[4-methyl-3-(oxan-4-ylmethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
2-[[4-methyl-3-(oxan-4-ylmethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 347.41 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-3-(oxan-4-ylmethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120976327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).