1-(3-acetamidophenoxy)butan-2-yl N-benzylcarbamate

C20H24N2O4 — CID 10926375

IUPAC1-(3-acetamidophenoxy)butan-2-yl N-benzylcarbamate
SMILESCCC(COc1cccc(NC(C)=O)c1)OC(=O)NCc1ccccc1
InChIInChI=1S/C20H24N2O4/c1-3-18(26-20(24)21-13-16-8-5-4-6-9-16)14-25-19-11-7-10-17(12-19)22-15(2)23/h4-12,18H,3,13-14H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyOUYYHTOZALMIDZ-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.73
Rot. Bonds8

About 1-(3-acetamidophenoxy)butan-2-yl N-benzylcarbamate

1-(3-acetamidophenoxy)butan-2-yl N-benzylcarbamate (PubChem CID 10926375) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-(3-acetamidophenoxy)butan-2-yl N-benzylcarbamate.

Molecular Properties

Compound Name1-(3-acetamidophenoxy)butan-2-yl N-benzylcarbamate
PubChem CID10926375
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name1-(3-acetamidophenoxy)butan-2-yl N-benzylcarbamate
SMILESCCC(COc1cccc(NC(C)=O)c1)OC(=O)NCc1ccccc1
InChIInChI=1S/C20H24N2O4/c1-3-18(26-20(24)21-13-16-8-5-4-6-9-16)14-25-19-11-7-10-17(12-19)22-15(2)23/h4-12,18H,3,13-14H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyOUYYHTOZALMIDZ-UHFFFAOYSA-N
XLogP3.73
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenoxybutan-2-yl N-propylcarbamate
CID 143240308
1-phenylmethoxybutan-2-yl N-benzylcarbamate
CID 101250617
1-[3-(trifluoromethyl)phenoxy]butan-2-yl N-(2-phenylethyl)carbamate
CID 11003436
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
N-[3-(2-hydroxypropoxy)phenyl]acetamide
CID 65277606
N-[3-(3-bromo-2-phenylpropoxy)phenyl]acetamide
CID 65016573
[3-phenoxy-2-[[3-[[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]methyl]phenyl]methylcarbamoyloxy]propyl] prop-2-enoate
CID 89212097
2-amino-N-(3-ethoxyphenyl)-3-phenylpropanamide
CID 60927036
1-[3-(trifluoromethyl)phenoxy]butan-2-yl N-[(2-methylphenyl)methyl]carbamate
CID 54269777
N-[3-[(2-hydroxy-3-phenoxypropyl)amino]phenyl]acetamide
CID 23325745
3-[1-(benzylcarbamoyloxy)propoxy]benzoic acid
CID 101250629
N-[(3-acetamidophenyl)methyl]-2-(2-phenoxyethoxy)benzamide
CID 39574397

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetamidophenoxy)butan-2-yl N-benzylcarbamate?
The IUPAC name of 1-(3-acetamidophenoxy)butan-2-yl N-benzylcarbamate (CID 10926375) is 1-(3-acetamidophenoxy)butan-2-yl N-benzylcarbamate.
What is the SMILES notation for 1-(3-acetamidophenoxy)butan-2-yl N-benzylcarbamate?
The canonical SMILES for 1-(3-acetamidophenoxy)butan-2-yl N-benzylcarbamate is CCC(COc1cccc(NC(C)=O)c1)OC(=O)NCc1ccccc1.
What is the InChIKey of 1-(3-acetamidophenoxy)butan-2-yl N-benzylcarbamate?
The InChIKey is OUYYHTOZALMIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-3-18(26-20(24)21-13-16-8-5-4-6-9-16)14-25-19-11-7-10-17(12-19)22-15(2)23/h4-12,18H,3,13-14H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 1-(3-acetamidophenoxy)butan-2-yl N-benzylcarbamate?
1-(3-acetamidophenoxy)butan-2-yl N-benzylcarbamate has a molecular weight of 356.42 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetamidophenoxy)butan-2-yl N-benzylcarbamate is sourced from PubChem (CID 10926375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).