[4-[[(1R)-1-phenylethyl]carbamoyl]phenyl] acetate

C17H17NO3 — CID 690409

IUPAC[4-[[(1R)-1-phenylethyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C17H17NO3/c1-12(14-6-4-3-5-7-14)18-17(20)15-8-10-16(11-9-15)21-13(2)19/h3-12H,1-2H3,(H,18,20)/t12-/m1/s1
InChIKeyZSMDTZWAUZQIJS-GFCCVEGCSA-N
MW283.33 g/mol
LogP3.10
Rot. Bonds4

About [4-[[(1R)-1-phenylethyl]carbamoyl]phenyl] acetate

[4-[[(1R)-1-phenylethyl]carbamoyl]phenyl] acetate (PubChem CID 690409) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is [4-[[(1R)-1-phenylethyl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[[(1R)-1-phenylethyl]carbamoyl]phenyl] acetate
PubChem CID690409
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name[4-[[(1R)-1-phenylethyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C17H17NO3/c1-12(14-6-4-3-5-7-14)18-17(20)15-8-10-16(11-9-15)21-13(2)19/h3-12H,1-2H3,(H,18,20)/t12-/m1/s1
InChIKeyZSMDTZWAUZQIJS-GFCCVEGCSA-N
XLogP3.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide
CID 118604265
[4-(1-phenylethylcarbamoyl)phenyl] 4-ethylbenzoate
CID 23597756
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
4-acetamido-N-(1-phenylethyl)benzamide
CID 2841785
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide
CID 977346
[4-[4-[[(1R)-1-(3,4-dichlorophenyl)ethyl]carbamoyl]phenyl]phenyl] acetate
CID 2533185
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
4-(phenoxymethyl)-N-(1-phenylethyl)benzamide
CID 112759831
4-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248478
4-benzamido-N-(1-phenylethyl)benzamide
CID 17153199
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033

Frequently Asked Questions

What is the IUPAC name of [4-[[(1R)-1-phenylethyl]carbamoyl]phenyl] acetate?
The IUPAC name of [4-[[(1R)-1-phenylethyl]carbamoyl]phenyl] acetate (CID 690409) is [4-[[(1R)-1-phenylethyl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [4-[[(1R)-1-phenylethyl]carbamoyl]phenyl] acetate?
The canonical SMILES for [4-[[(1R)-1-phenylethyl]carbamoyl]phenyl] acetate is CC(=O)Oc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1.
What is the InChIKey of [4-[[(1R)-1-phenylethyl]carbamoyl]phenyl] acetate?
The InChIKey is ZSMDTZWAUZQIJS-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12(14-6-4-3-5-7-14)18-17(20)15-8-10-16(11-9-15)21-13(2)19/h3-12H,1-2H3,(H,18,20)/t12-/m1/s1.
What are the key properties of [4-[[(1R)-1-phenylethyl]carbamoyl]phenyl] acetate?
[4-[[(1R)-1-phenylethyl]carbamoyl]phenyl] acetate has a molecular weight of 283.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(1R)-1-phenylethyl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 690409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).