[4-(4-phenylbutan-2-ylcarbamoyl)phenyl] acetate

C19H21NO3 — CID 3865423

IUPAC[4-(4-phenylbutan-2-ylcarbamoyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)NC(C)CCc2ccccc2)cc1
InChIInChI=1S/C19H21NO3/c1-14(8-9-16-6-4-3-5-7-16)20-19(22)17-10-12-18(13-11-17)23-15(2)21/h3-7,10-14H,8-9H2,1-2H3,(H,20,22)
InChIKeyJQHNTYWUHPQKIY-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.36
Rot. Bonds6

About [4-(4-phenylbutan-2-ylcarbamoyl)phenyl] acetate

[4-(4-phenylbutan-2-ylcarbamoyl)phenyl] acetate (PubChem CID 3865423) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is [4-(4-phenylbutan-2-ylcarbamoyl)phenyl] acetate.

Molecular Properties

Compound Name[4-(4-phenylbutan-2-ylcarbamoyl)phenyl] acetate
PubChem CID3865423
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name[4-(4-phenylbutan-2-ylcarbamoyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)NC(C)CCc2ccccc2)cc1
InChIInChI=1S/C19H21NO3/c1-14(8-9-16-6-4-3-5-7-16)20-19(22)17-10-12-18(13-11-17)23-15(2)21/h3-7,10-14H,8-9H2,1-2H3,(H,20,22)
InChIKeyJQHNTYWUHPQKIY-UHFFFAOYSA-N
XLogP3.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-(4-phenylbutan-2-ylcarbamoyl)phenyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide
CID 1263174
N-[(2R)-4-phenylbutan-2-yl]-4-prop-2-enoxybenzamide
CID 40746031
N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide
CID 107026940
[4-[[(1R)-1-phenylethyl]carbamoyl]phenyl] acetate
CID 690409
N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 3246771
4-(carbamoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 26013431
N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-4-phenoxybenzamide
CID 25483291
3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 903724
6-amino-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 62072779
3,5-diethoxy-N-(4-phenylbutan-2-yl)benzamide
CID 46853566
N-[4-(4-iodophenyl)butan-2-yl]benzamide
CID 132547584

Frequently Asked Questions

What is the IUPAC name of [4-(4-phenylbutan-2-ylcarbamoyl)phenyl] acetate?
The IUPAC name of [4-(4-phenylbutan-2-ylcarbamoyl)phenyl] acetate (CID 3865423) is [4-(4-phenylbutan-2-ylcarbamoyl)phenyl] acetate.
What is the SMILES notation for [4-(4-phenylbutan-2-ylcarbamoyl)phenyl] acetate?
The canonical SMILES for [4-(4-phenylbutan-2-ylcarbamoyl)phenyl] acetate is CC(=O)Oc1ccc(C(=O)NC(C)CCc2ccccc2)cc1.
What is the InChIKey of [4-(4-phenylbutan-2-ylcarbamoyl)phenyl] acetate?
The InChIKey is JQHNTYWUHPQKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-14(8-9-16-6-4-3-5-7-16)20-19(22)17-10-12-18(13-11-17)23-15(2)21/h3-7,10-14H,8-9H2,1-2H3,(H,20,22).
What are the key properties of [4-(4-phenylbutan-2-ylcarbamoyl)phenyl] acetate?
[4-(4-phenylbutan-2-ylcarbamoyl)phenyl] acetate has a molecular weight of 311.38 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-phenylbutan-2-ylcarbamoyl)phenyl] acetate is sourced from PubChem (CID 3865423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).