[(3-cyclohex-2-en-1-yloxybenzoyl)amino] 2,2-dimethylpropanoate

C18H23NO4 — CID 102234788

IUPAC[(3-cyclohex-2-en-1-yloxybenzoyl)amino] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ONC(=O)c1cccc(OC2C=CCCC2)c1
InChIInChI=1S/C18H23NO4/c1-18(2,3)17(21)23-19-16(20)13-8-7-11-15(12-13)22-14-9-5-4-6-10-14/h5,7-9,11-12,14H,4,6,10H2,1-3H3,(H,19,20)
InChIKeyRXQBAWRJGWKVQX-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.41
Rot. Bonds3

About [(3-cyclohex-2-en-1-yloxybenzoyl)amino] 2,2-dimethylpropanoate

[(3-cyclohex-2-en-1-yloxybenzoyl)amino] 2,2-dimethylpropanoate (PubChem CID 102234788) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is [(3-cyclohex-2-en-1-yloxybenzoyl)amino] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(3-cyclohex-2-en-1-yloxybenzoyl)amino] 2,2-dimethylpropanoate
PubChem CID102234788
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name[(3-cyclohex-2-en-1-yloxybenzoyl)amino] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ONC(=O)c1cccc(OC2C=CCCC2)c1
InChIInChI=1S/C18H23NO4/c1-18(2,3)17(21)23-19-16(20)13-8-7-11-15(12-13)22-14-9-5-4-6-10-14/h5,7-9,11-12,14H,4,6,10H2,1-3H3,(H,19,20)
InChIKeyRXQBAWRJGWKVQX-UHFFFAOYSA-N
XLogP3.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-cyclohex-2-en-1-yloxy-3-methylbenzene
CID 91516514
3-cyclopentyloxy-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide
CID 122141053
5-cyclohex-2-en-1-yloxypyridine-3-carboxylic acid
CID 114619557
4-[(1S)-cyclohex-2-en-1-yl]oxybenzoate
CID 7343247
N-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]cyclopropanamine
CID 114619665
3-cyclopentyloxybenzamide
CID 71932153
2-chloro-5-cyclohex-2-en-1-yloxybenzoic acid
CID 106500787
1-(3-cyclohexyloxyphenyl)ethanone
CID 43208744
N-[2-(aminomethyl)cyclohexyl]-3-cyclopentyloxybenzamide;hydrochloride
CID 119611218
N-(3-amino-2-methylpropyl)-3-cyclopentyloxybenzamide
CID 119995738
4-cyclohex-2-en-1-yloxybenzoic acid;(4-cyclohex-2-en-1-yloxyphenyl)methanol
CID 67807487
N-(3-aminobutyl)-3-cyclopentyloxybenzamide;hydrochloride
CID 119497787

Frequently Asked Questions

What is the IUPAC name of [(3-cyclohex-2-en-1-yloxybenzoyl)amino] 2,2-dimethylpropanoate?
The IUPAC name of [(3-cyclohex-2-en-1-yloxybenzoyl)amino] 2,2-dimethylpropanoate (CID 102234788) is [(3-cyclohex-2-en-1-yloxybenzoyl)amino] 2,2-dimethylpropanoate.
What is the SMILES notation for [(3-cyclohex-2-en-1-yloxybenzoyl)amino] 2,2-dimethylpropanoate?
The canonical SMILES for [(3-cyclohex-2-en-1-yloxybenzoyl)amino] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ONC(=O)c1cccc(OC2C=CCCC2)c1.
What is the InChIKey of [(3-cyclohex-2-en-1-yloxybenzoyl)amino] 2,2-dimethylpropanoate?
The InChIKey is RXQBAWRJGWKVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-18(2,3)17(21)23-19-16(20)13-8-7-11-15(12-13)22-14-9-5-4-6-10-14/h5,7-9,11-12,14H,4,6,10H2,1-3H3,(H,19,20).
What are the key properties of [(3-cyclohex-2-en-1-yloxybenzoyl)amino] 2,2-dimethylpropanoate?
[(3-cyclohex-2-en-1-yloxybenzoyl)amino] 2,2-dimethylpropanoate has a molecular weight of 317.39 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-cyclohex-2-en-1-yloxybenzoyl)amino] 2,2-dimethylpropanoate is sourced from PubChem (CID 102234788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).