1-phenoxybutan-2-yl N-benzylcarbamate

C18H21NO3 — CID 11781527

IUPAC1-phenoxybutan-2-yl N-benzylcarbamate
SMILESCCC(COc1ccccc1)OC(=O)NCc1ccccc1
InChIInChI=1S/C18H21NO3/c1-2-16(14-21-17-11-7-4-8-12-17)22-18(20)19-13-15-9-5-3-6-10-15/h3-12,16H,2,13-14H2,1H3,(H,19,20)
InChIKeyQYMLYASKWCFEOI-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.77
Rot. Bonds7

About 1-phenoxybutan-2-yl N-benzylcarbamate

1-phenoxybutan-2-yl N-benzylcarbamate (PubChem CID 11781527) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-phenoxybutan-2-yl N-benzylcarbamate.

Molecular Properties

Compound Name1-phenoxybutan-2-yl N-benzylcarbamate
PubChem CID11781527
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name1-phenoxybutan-2-yl N-benzylcarbamate
SMILESCCC(COc1ccccc1)OC(=O)NCc1ccccc1
InChIInChI=1S/C18H21NO3/c1-2-16(14-21-17-11-7-4-8-12-17)22-18(20)19-13-15-9-5-3-6-10-15/h3-12,16H,2,13-14H2,1H3,(H,19,20)
InChIKeyQYMLYASKWCFEOI-UHFFFAOYSA-N
XLogP3.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-(9H-xanthen-9-yl)carbamate
CID 602501
Phenyl (4-isopropoxybenzyl)carbamate
CID 2989242
N-(4-butoxybenzyl)formamide
CID 137313
ethyl N-(9H-xanthen-9-yl)carbamate
CID 233004
Benzyl-(2-phenoxy-ethyl)-amine
CID 20256387
N-{[4-(Pentyloxy)phenyl]methyl}formamide
CID 44371284
3-{[methyl(3-phenoxypropyl)amino]methyl}phenyl N-methylcarbamate
CID 10860441
3-({[3-(3-benzylphenoxy)propyl](methyl)amino}methyl)phenyl N-methylcarbamate
CID 10927911
4-methoxyphenyl N-phenethylcarbamate
CID 2802350
4-Benzyloxyphenyl-n-butylcarbamate
CID 295380
1-Benzylamino-3-phenoxy-propan-2-ol
CID 6610787
1-[3-(trifluoromethyl)phenoxy]butan-2-yl N-(2-phenylethyl)carbamate
CID 11003436

Frequently Asked Questions

What is the IUPAC name of 1-phenoxybutan-2-yl N-benzylcarbamate?
The IUPAC name of 1-phenoxybutan-2-yl N-benzylcarbamate (CID 11781527) is 1-phenoxybutan-2-yl N-benzylcarbamate.
What is the SMILES notation for 1-phenoxybutan-2-yl N-benzylcarbamate?
The canonical SMILES for 1-phenoxybutan-2-yl N-benzylcarbamate is CCC(COc1ccccc1)OC(=O)NCc1ccccc1.
What is the InChIKey of 1-phenoxybutan-2-yl N-benzylcarbamate?
The InChIKey is QYMLYASKWCFEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-2-16(14-21-17-11-7-4-8-12-17)22-18(20)19-13-15-9-5-3-6-10-15/h3-12,16H,2,13-14H2,1H3,(H,19,20).
What are the key properties of 1-phenoxybutan-2-yl N-benzylcarbamate?
1-phenoxybutan-2-yl N-benzylcarbamate has a molecular weight of 299.37 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxybutan-2-yl N-benzylcarbamate is sourced from PubChem (CID 11781527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).