[butoxy-(4-phenylbenzoyl)amino] acetate

C19H21NO4 — CID 57348489

IUPAC[butoxy-(4-phenylbenzoyl)amino] acetate
SMILESCCCCON(OC(C)=O)C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H21NO4/c1-3-4-14-23-20(24-15(2)21)19(22)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-13H,3-4,14H2,1-2H3
InChIKeyXDPAJYXBLBWLGJ-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.01
Rot. Bonds6

About [butoxy-(4-phenylbenzoyl)amino] acetate

[butoxy-(4-phenylbenzoyl)amino] acetate (PubChem CID 57348489) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is [butoxy-(4-phenylbenzoyl)amino] acetate.

Molecular Properties

Compound Name[butoxy-(4-phenylbenzoyl)amino] acetate
PubChem CID57348489
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name[butoxy-(4-phenylbenzoyl)amino] acetate
SMILESCCCCON(OC(C)=O)C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H21NO4/c1-3-4-14-23-20(24-15(2)21)19(22)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-13H,3-4,14H2,1-2H3
InChIKeyXDPAJYXBLBWLGJ-UHFFFAOYSA-N
XLogP4.01
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[butoxy-(4-methylbenzoyl)amino] acetate
CID 3025704
[butoxy-(4-chlorobenzoyl)amino] acetate
CID 3025705
N'-(4-butoxybenzoyl)-4-phenylbenzohydrazide
CID 3096307
1,1'-biphenyl;butyl benzoate
CID 67401065
N-butoxy-N-(2-phenylethynyl)benzamide
CID 87815737
N-butyl-4-phenylbenzamide
CID 3637649
(4-phenylphenyl) 4-nonoxybenzoate
CID 71386628
benzoic acid;butyl acetate
CID 67420594
N,N-bis[(2R)-butan-2-yl]-4-phenylbenzamide
CID 2169877
butyl 4-(diphenylcarbamoyl)benzoate
CID 91733806
[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl] acetate
CID 163460715
3-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenoxy]propyl acetate
CID 20605378

Frequently Asked Questions

What is the IUPAC name of [butoxy-(4-phenylbenzoyl)amino] acetate?
The IUPAC name of [butoxy-(4-phenylbenzoyl)amino] acetate (CID 57348489) is [butoxy-(4-phenylbenzoyl)amino] acetate.
What is the SMILES notation for [butoxy-(4-phenylbenzoyl)amino] acetate?
The canonical SMILES for [butoxy-(4-phenylbenzoyl)amino] acetate is CCCCON(OC(C)=O)C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [butoxy-(4-phenylbenzoyl)amino] acetate?
The InChIKey is XDPAJYXBLBWLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-4-14-23-20(24-15(2)21)19(22)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-13H,3-4,14H2,1-2H3.
What are the key properties of [butoxy-(4-phenylbenzoyl)amino] acetate?
[butoxy-(4-phenylbenzoyl)amino] acetate has a molecular weight of 327.38 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [butoxy-(4-phenylbenzoyl)amino] acetate is sourced from PubChem (CID 57348489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).