2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid

C17H23NO4 — CID 120975441

IUPAC2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCc1cccc(C)c1OCC(C)NC(=O)C1CCC1C(=O)O
InChIInChI=1S/C17H23NO4/c1-10-5-4-6-11(2)15(10)22-9-12(3)18-16(19)13-7-8-14(13)17(20)21/h4-6,12-14H,7-9H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyUWTJJQRJSSKMFW-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.30
Rot. Bonds6

About 2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid

2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120975441) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120975441
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCc1cccc(C)c1OCC(C)NC(=O)C1CCC1C(=O)O
InChIInChI=1S/C17H23NO4/c1-10-5-4-6-11(2)15(10)22-9-12(3)18-16(19)13-7-8-14(13)17(20)21/h4-6,12-14H,7-9H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyUWTJJQRJSSKMFW-UHFFFAOYSA-N
XLogP2.30
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119745976
N-[1-(2,6-dimethylphenoxy)propan-2-yl]piperidine-2-carboxamide
CID 119301760
2-(cyclopropylmethylamino)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide;hydrochloride
CID 119745985
N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide
CID 139460648
N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide;hydrochloride
CID 164614215
N-[1-(2,6-dimethylphenoxy)propan-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119301757
1-(2-chloro-6-methylphenoxy)propan-2-ylcarbamic acid
CID 54136497
N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119745978
1-benzyl-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea
CID 3391401
4-(cyclobutanecarbonyl)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]piperazine-1-carboxamide
CID 119071313
2-(1-methoxypropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103977801
(3R,6S)-6-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 169437891

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid (CID 120975441) is 2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid is Cc1cccc(C)c1OCC(C)NC(=O)C1CCC1C(=O)O.
What is the InChIKey of 2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is UWTJJQRJSSKMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-10-5-4-6-11(2)15(10)22-9-12(3)18-16(19)13-7-8-14(13)17(20)21/h4-6,12-14H,7-9H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid?
2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 305.37 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120975441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).