[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropyl] acetate

C16H23NO4 — CID 70164650

IUPAC[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropyl] acetate
SMILESCC(=O)OC(c1ccccc1)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H23NO4/c1-11(17-15(19)21-16(3,4)5)14(20-12(2)18)13-9-7-6-8-10-13/h6-11,14H,1-5H3,(H,17,19)
InChIKeyLNLFBFFSLLQPSU-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.20
Rot. Bonds4

About [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropyl] acetate

[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropyl] acetate (PubChem CID 70164650) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropyl] acetate.

Molecular Properties

Compound Name[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropyl] acetate
PubChem CID70164650
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropyl] acetate
SMILESCC(=O)OC(c1ccccc1)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H23NO4/c1-11(17-15(19)21-16(3,4)5)14(20-12(2)18)13-9-7-6-8-10-13/h6-11,14H,1-5H3,(H,17,19)
InChIKeyLNLFBFFSLLQPSU-UHFFFAOYSA-N
XLogP3.20
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
CID 143116605
tert-butyl N-[(1R,2R)-1-hydroxy-3-methyl-1-phenylbutan-2-yl]carbamate
CID 102037533
2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 56828048
tert-butyl N-[(1R,2R)-2-amino-1-phenylpropyl]carbamate
CID 102077726
tert-butyl N-[2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-diphenylbutyl]carbamate
CID 15294700
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetic acid;hydrochloride
CID 13017724
tert-butyl N-(2-methyl-3-oxo-1-phenylpropyl)carbamate
CID 24788666
tert-butyl N-[(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl]carbamate
CID 26791694
S-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl] ethanethioate
CID 59924169
(1-acetyloxy-1-phenylpropan-2-yl)-trimethylazanium
CID 24833445
tert-butyl N-(3,3-dimethyl-2-oxo-1-phenylbutyl)carbamate
CID 15864552
tert-butyl N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]carbamate
CID 96581873

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropyl] acetate?
The IUPAC name of [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropyl] acetate (CID 70164650) is [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropyl] acetate.
What is the SMILES notation for [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropyl] acetate?
The canonical SMILES for [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropyl] acetate is CC(=O)OC(c1ccccc1)C(C)NC(=O)OC(C)(C)C.
What is the InChIKey of [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropyl] acetate?
The InChIKey is LNLFBFFSLLQPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11(17-15(19)21-16(3,4)5)14(20-12(2)18)13-9-7-6-8-10-13/h6-11,14H,1-5H3,(H,17,19).
What are the key properties of [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropyl] acetate?
[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropyl] acetate has a molecular weight of 293.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropyl] acetate is sourced from PubChem (CID 70164650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).