(4-propan-2-ylphenyl) 2-(benzylcarbamoylamino)acetate

C19H22N2O3 — CID 110671087

IUPAC(4-propan-2-ylphenyl) 2-(benzylcarbamoylamino)acetate
SMILESCC(C)c1ccc(OC(=O)CNC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-14(2)16-8-10-17(11-9-16)24-18(22)13-21-19(23)20-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H2,20,21,23)
InChIKeyHGAHHNRWVHRAFF-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.21
Rot. Bonds6

About (4-propan-2-ylphenyl) 2-(benzylcarbamoylamino)acetate

(4-propan-2-ylphenyl) 2-(benzylcarbamoylamino)acetate (PubChem CID 110671087) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is (4-propan-2-ylphenyl) 2-(benzylcarbamoylamino)acetate.

Molecular Properties

Compound Name(4-propan-2-ylphenyl) 2-(benzylcarbamoylamino)acetate
PubChem CID110671087
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name(4-propan-2-ylphenyl) 2-(benzylcarbamoylamino)acetate
SMILESCC(C)c1ccc(OC(=O)CNC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-14(2)16-8-10-17(11-9-16)24-18(22)13-21-19(23)20-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H2,20,21,23)
InChIKeyHGAHHNRWVHRAFF-UHFFFAOYSA-N
XLogP3.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-propan-2-ylphenyl) 2-phenylacetate
CID 917902
(2S)-N-benzyl-2-(4-propan-2-ylphenoxy)propanamide
CID 9239248
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598174
phenyl 2-[4-(4-propan-2-ylphenoxy)phenyl]acetate
CID 158472100
(4-propan-2-ylphenyl)methyl N-benzylcarbamate
CID 141057085
2,2-dimethyl-3-[(4-propan-2-ylphenyl)methylcarbamoylamino]propanoic acid
CID 115428681
N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide
CID 4513811
4-[[1-(4-propan-2-ylphenoxy)ethylcarbamoylamino]methyl]benzoic acid
CID 108880613
1-benzyl-3-[bis(4-methoxyphenyl)methyl]urea
CID 38273727
2-methyl-2-[(4-propan-2-ylphenyl)methylcarbamoylamino]propanoic acid
CID 43089477
(4-phenylphenyl) 3-(4-propan-2-ylphenyl)propanoate
CID 19221602
1-benzyl-3-(2-hydroxypropyl)urea
CID 103604143

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl) 2-(benzylcarbamoylamino)acetate?
The IUPAC name of (4-propan-2-ylphenyl) 2-(benzylcarbamoylamino)acetate (CID 110671087) is (4-propan-2-ylphenyl) 2-(benzylcarbamoylamino)acetate.
What is the SMILES notation for (4-propan-2-ylphenyl) 2-(benzylcarbamoylamino)acetate?
The canonical SMILES for (4-propan-2-ylphenyl) 2-(benzylcarbamoylamino)acetate is CC(C)c1ccc(OC(=O)CNC(=O)NCc2ccccc2)cc1.
What is the InChIKey of (4-propan-2-ylphenyl) 2-(benzylcarbamoylamino)acetate?
The InChIKey is HGAHHNRWVHRAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14(2)16-8-10-17(11-9-16)24-18(22)13-21-19(23)20-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H2,20,21,23).
What are the key properties of (4-propan-2-ylphenyl) 2-(benzylcarbamoylamino)acetate?
(4-propan-2-ylphenyl) 2-(benzylcarbamoylamino)acetate has a molecular weight of 326.40 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl) 2-(benzylcarbamoylamino)acetate is sourced from PubChem (CID 110671087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).