(4-acetamidophenyl)methyl N-tert-butylcarbamate

C14H20N2O3 — CID 155455042

IUPAC(4-acetamidophenyl)methyl N-tert-butylcarbamate
SMILESCC(=O)Nc1ccc(COC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C14H20N2O3/c1-10(17)15-12-7-5-11(6-8-12)9-19-13(18)16-14(2,3)4/h5-8H,9H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyAGOPWFMSKDFSDW-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.67
Rot. Bonds3

About (4-acetamidophenyl)methyl N-tert-butylcarbamate

(4-acetamidophenyl)methyl N-tert-butylcarbamate (PubChem CID 155455042) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (4-acetamidophenyl)methyl N-tert-butylcarbamate.

Molecular Properties

Compound Name(4-acetamidophenyl)methyl N-tert-butylcarbamate
PubChem CID155455042
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(4-acetamidophenyl)methyl N-tert-butylcarbamate
SMILESCC(=O)Nc1ccc(COC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C14H20N2O3/c1-10(17)15-12-7-5-11(6-8-12)9-19-13(18)16-14(2,3)4/h5-8H,9H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyAGOPWFMSKDFSDW-UHFFFAOYSA-N
XLogP2.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

pyridin-4-ylmethyl N-tert-butylcarbamate
CID 59402004
N-[4-(2,2-dimethylpropyl)phenyl]acetamide
CID 825793
2-(4-acetamidoanilino)-N-tert-butylacetamide
CID 28567256
benzyl N-[4-[2-(2,2-dimethylpropanoylamino)-2-oxoethyl]phenyl]carbamate
CID 67901820
[3-fluoro-4-(hydroxymethyl)phenyl]methyl N-tert-butylcarbamate
CID 174615925
(4-acetamidophenyl)methyl piperidine-1-carboxylate
CID 67794998
(4-propan-2-ylphenyl)methyl 4-acetamidobenzoate
CID 7957948
(4-phenylphenyl)methyl 2-(4-acetamidophenyl)acetate
CID 8611518
benzyl N-[(2R)-1-(tert-butylamino)-2-methyl-1-oxo-3-phenylpropan-2-yl]carbamate
CID 11152854
[4-(sulfanylamino)phenyl]methyl N-(4-ethylphenyl)carbamate
CID 134513469
(4-methylphenyl)methyl N-[4-(2-amino-2-oxoethyl)phenyl]carbamate
CID 171824814
2-(4-acetamidophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 115869949

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl)methyl N-tert-butylcarbamate?
The IUPAC name of (4-acetamidophenyl)methyl N-tert-butylcarbamate (CID 155455042) is (4-acetamidophenyl)methyl N-tert-butylcarbamate.
What is the SMILES notation for (4-acetamidophenyl)methyl N-tert-butylcarbamate?
The canonical SMILES for (4-acetamidophenyl)methyl N-tert-butylcarbamate is CC(=O)Nc1ccc(COC(=O)NC(C)(C)C)cc1.
What is the InChIKey of (4-acetamidophenyl)methyl N-tert-butylcarbamate?
The InChIKey is AGOPWFMSKDFSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(17)15-12-7-5-11(6-8-12)9-19-13(18)16-14(2,3)4/h5-8H,9H2,1-4H3,(H,15,17)(H,16,18).
What are the key properties of (4-acetamidophenyl)methyl N-tert-butylcarbamate?
(4-acetamidophenyl)methyl N-tert-butylcarbamate has a molecular weight of 264.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl)methyl N-tert-butylcarbamate is sourced from PubChem (CID 155455042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).