benzoyl benzoate;N,N-dimethylethanamine

C18H21NO3 — CID 174532013

IUPACbenzoyl benzoate;N,N-dimethylethanamine
SMILESCCN(C)C.O=C(OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10O3.C4H11N/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12;1-4-5(2)3/h1-10H;4H2,1-3H3
InChIKeyUFLQWPGDMOKKNU-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.25
Rot. Bonds3

About benzoyl benzoate;N,N-dimethylethanamine

benzoyl benzoate;N,N-dimethylethanamine (PubChem CID 174532013) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is benzoyl benzoate;N,N-dimethylethanamine.

Molecular Properties

Compound Namebenzoyl benzoate;N,N-dimethylethanamine
PubChem CID174532013
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Namebenzoyl benzoate;N,N-dimethylethanamine
SMILESCCN(C)C.O=C(OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10O3.C4H11N/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12;1-4-5(2)3/h1-10H;4H2,1-3H3
InChIKeyUFLQWPGDMOKKNU-UHFFFAOYSA-N
XLogP3.25
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

[2-(dimethylamino)acetyl] benzoate
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CID 162308474
benzaldehyde;benzoyl benzoate
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iron;2-oxopropanoyl benzoate
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benzoyl benzoate;2-methylprop-2-enoic acid
CID 87155251
benzoyl benzoate;2-ethoxyprop-2-enoic acid
CID 175592406
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N,N-dimethylmethanamine;1-phenylpropan-1-one
CID 174454319
benzoyl benzoate;benzoyl chloride
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benzoyl benzoate;butyl acetate
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Frequently Asked Questions

What is the IUPAC name of benzoyl benzoate;N,N-dimethylethanamine?
The IUPAC name of benzoyl benzoate;N,N-dimethylethanamine (CID 174532013) is benzoyl benzoate;N,N-dimethylethanamine.
What is the SMILES notation for benzoyl benzoate;N,N-dimethylethanamine?
The canonical SMILES for benzoyl benzoate;N,N-dimethylethanamine is CCN(C)C.O=C(OC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of benzoyl benzoate;N,N-dimethylethanamine?
The InChIKey is UFLQWPGDMOKKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3.C4H11N/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12;1-4-5(2)3/h1-10H;4H2,1-3H3.
What are the key properties of benzoyl benzoate;N,N-dimethylethanamine?
benzoyl benzoate;N,N-dimethylethanamine has a molecular weight of 299.37 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl benzoate;N,N-dimethylethanamine is sourced from PubChem (CID 174532013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).