1-[[3-(2-methoxyethoxy)benzoyl]amino]cycloheptane-1-carboxylic acid

C18H25NO5 — CID 120538657

IUPAC1-[[3-(2-methoxyethoxy)benzoyl]amino]cycloheptane-1-carboxylic acid
SMILESCOCCOc1cccc(C(=O)NC2(C(=O)O)CCCCCC2)c1
InChIInChI=1S/C18H25NO5/c1-23-11-12-24-15-8-6-7-14(13-15)16(20)19-18(17(21)22)9-4-2-3-5-10-18/h6-8,13H,2-5,9-12H2,1H3,(H,19,20)(H,21,22)
InChIKeyAWBNVCFHFKWUBR-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.62
Rot. Bonds7

About 1-[[3-(2-methoxyethoxy)benzoyl]amino]cycloheptane-1-carboxylic acid

1-[[3-(2-methoxyethoxy)benzoyl]amino]cycloheptane-1-carboxylic acid (PubChem CID 120538657) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-[[3-(2-methoxyethoxy)benzoyl]amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(2-methoxyethoxy)benzoyl]amino]cycloheptane-1-carboxylic acid
PubChem CID120538657
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name1-[[3-(2-methoxyethoxy)benzoyl]amino]cycloheptane-1-carboxylic acid
SMILESCOCCOc1cccc(C(=O)NC2(C(=O)O)CCCCCC2)c1
InChIInChI=1S/C18H25NO5/c1-23-11-12-24-15-8-6-7-14(13-15)16(20)19-18(17(21)22)9-4-2-3-5-10-18/h6-8,13H,2-5,9-12H2,1H3,(H,19,20)(H,21,22)
InChIKeyAWBNVCFHFKWUBR-UHFFFAOYSA-N
XLogP2.62
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3-ethoxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 120539178
1-[(3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43151448
1-[4-(3-acetylphenoxy)butanoylamino]cyclohexane-1-carboxylic acid
CID 119113838
1-[[[3-(3-methoxypropoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544460
2-[1-[[3-(3-methoxypropoxy)benzoyl]amino]cyclobutyl]acetic acid
CID 119217649
1-[[3-(dimethylcarbamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 119350549
3-[[3-(2-methoxyethoxy)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249413
N-[1-(hydroxymethyl)cyclopropyl]-3-propoxybenzamide
CID 113337544
1-[2-(3-acetylphenoxy)propanoylamino]cyclohexane-1-carboxylic acid
CID 119113818
3-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid
CID 119177030
N-cyclopentyloxy-3-(2-methoxyethoxy)benzamide
CID 75442730
1-[(3-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 120538673

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-methoxyethoxy)benzoyl]amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[[3-(2-methoxyethoxy)benzoyl]amino]cycloheptane-1-carboxylic acid (CID 120538657) is 1-[[3-(2-methoxyethoxy)benzoyl]amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-(2-methoxyethoxy)benzoyl]amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[[3-(2-methoxyethoxy)benzoyl]amino]cycloheptane-1-carboxylic acid is COCCOc1cccc(C(=O)NC2(C(=O)O)CCCCCC2)c1.
What is the InChIKey of 1-[[3-(2-methoxyethoxy)benzoyl]amino]cycloheptane-1-carboxylic acid?
The InChIKey is AWBNVCFHFKWUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-23-11-12-24-15-8-6-7-14(13-15)16(20)19-18(17(21)22)9-4-2-3-5-10-18/h6-8,13H,2-5,9-12H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 1-[[3-(2-methoxyethoxy)benzoyl]amino]cycloheptane-1-carboxylic acid?
1-[[3-(2-methoxyethoxy)benzoyl]amino]cycloheptane-1-carboxylic acid has a molecular weight of 335.40 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-methoxyethoxy)benzoyl]amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 120538657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).