[4-[[2-[(2R)-butan-2-yl]phenyl]carbamoyl]phenyl] acetate

C19H21NO3 — CID 41121356

IUPAC[4-[[2-[(2R)-butan-2-yl]phenyl]carbamoyl]phenyl] acetate
SMILESCC[C@@H](C)c1ccccc1NC(=O)c1ccc(OC(C)=O)cc1
InChIInChI=1S/C19H21NO3/c1-4-13(2)17-7-5-6-8-18(17)20-19(22)15-9-11-16(12-10-15)23-14(3)21/h5-13H,4H2,1-3H3,(H,20,22)/t13-/m1/s1
InChIKeyGIJDGVHYZXKQSZ-CYBMUJFWSA-N
MW311.38 g/mol
LogP4.38
Rot. Bonds5

About [4-[[2-[(2R)-butan-2-yl]phenyl]carbamoyl]phenyl] acetate

[4-[[2-[(2R)-butan-2-yl]phenyl]carbamoyl]phenyl] acetate (PubChem CID 41121356) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is [4-[[2-[(2R)-butan-2-yl]phenyl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[[2-[(2R)-butan-2-yl]phenyl]carbamoyl]phenyl] acetate
PubChem CID41121356
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name[4-[[2-[(2R)-butan-2-yl]phenyl]carbamoyl]phenyl] acetate
SMILESCC[C@@H](C)c1ccccc1NC(=O)c1ccc(OC(C)=O)cc1
InChIInChI=1S/C19H21NO3/c1-4-13(2)17-7-5-6-8-18(17)20-19(22)15-9-11-16(12-10-15)23-14(3)21/h5-13H,4H2,1-3H3,(H,20,22)/t13-/m1/s1
InChIKeyGIJDGVHYZXKQSZ-CYBMUJFWSA-N
XLogP4.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-[[2-[(2R)-butan-2-yl]phenyl]carbamoyl]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

N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-methylpropoxy)benzamide
CID 959904
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
N-[2-[(2S)-butan-2-yl]phenyl]-3,5-dimethoxybenzamide
CID 2670827
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
[4-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]phenyl] acetate
CID 1369781
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
[4-[(2-acetamidophenyl)carbamoyl]phenyl] propanoate
CID 2993612
N-[2-[(2R)-butan-2-yl]phenyl]-3-iodobenzamide
CID 2670800
N-(2-acetamidophenyl)-4-ethoxybenzamide
CID 891466
N-(2-butan-2-ylphenyl)-3,4,5-trimethoxybenzamide
CID 11841254
N-[2-[(2S)-butan-2-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide
CID 2669248
N-[2-[(2S)-butan-2-yl]phenyl]-3-(2-methylpropoxy)benzamide
CID 959928

Frequently Asked Questions

What is the IUPAC name of [4-[[2-[(2R)-butan-2-yl]phenyl]carbamoyl]phenyl] acetate?
The IUPAC name of [4-[[2-[(2R)-butan-2-yl]phenyl]carbamoyl]phenyl] acetate (CID 41121356) is [4-[[2-[(2R)-butan-2-yl]phenyl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [4-[[2-[(2R)-butan-2-yl]phenyl]carbamoyl]phenyl] acetate?
The canonical SMILES for [4-[[2-[(2R)-butan-2-yl]phenyl]carbamoyl]phenyl] acetate is CC[C@@H](C)c1ccccc1NC(=O)c1ccc(OC(C)=O)cc1.
What is the InChIKey of [4-[[2-[(2R)-butan-2-yl]phenyl]carbamoyl]phenyl] acetate?
The InChIKey is GIJDGVHYZXKQSZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21NO3/c1-4-13(2)17-7-5-6-8-18(17)20-19(22)15-9-11-16(12-10-15)23-14(3)21/h5-13H,4H2,1-3H3,(H,20,22)/t13-/m1/s1.
What are the key properties of [4-[[2-[(2R)-butan-2-yl]phenyl]carbamoyl]phenyl] acetate?
[4-[[2-[(2R)-butan-2-yl]phenyl]carbamoyl]phenyl] acetate has a molecular weight of 311.38 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-[(2R)-butan-2-yl]phenyl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 41121356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).