1-phenylmethoxybutan-2-yl N-benzylcarbamate

C19H23NO3 — CID 101250617

IUPAC1-phenylmethoxybutan-2-yl N-benzylcarbamate
SMILESCCC(COCc1ccccc1)OC(=O)NCc1ccccc1
InChIInChI=1S/C19H23NO3/c1-2-18(15-22-14-17-11-7-4-8-12-17)23-19(21)20-13-16-9-5-3-6-10-16/h3-12,18H,2,13-15H2,1H3,(H,20,21)
InChIKeyCXGDYSAKSCOQAG-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.91
Rot. Bonds8

About 1-phenylmethoxybutan-2-yl N-benzylcarbamate

1-phenylmethoxybutan-2-yl N-benzylcarbamate (PubChem CID 101250617) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-phenylmethoxybutan-2-yl N-benzylcarbamate.

Molecular Properties

Compound Name1-phenylmethoxybutan-2-yl N-benzylcarbamate
PubChem CID101250617
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name1-phenylmethoxybutan-2-yl N-benzylcarbamate
SMILESCCC(COCc1ccccc1)OC(=O)NCc1ccccc1
InChIInChI=1S/C19H23NO3/c1-2-18(15-22-14-17-11-7-4-8-12-17)23-19(21)20-13-16-9-5-3-6-10-16/h3-12,18H,2,13-15H2,1H3,(H,20,21)
InChIKeyCXGDYSAKSCOQAG-UHFFFAOYSA-N
XLogP3.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hydroxy-3-phenylmethoxypropyl) N-benzylcarbamate
CID 132559738
1,3-bis(phenylmethoxy)propan-2-yl propanoate
CID 172575065
[(2R)-1-amino-1-oxobutan-2-yl] N-benzylcarbamate
CID 175581650
1-(3-acetamidophenoxy)butan-2-yl N-benzylcarbamate
CID 10926375
[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate
CID 175101477
(4-amino-1-propan-2-yloxybutan-2-yl) N-benzylcarbamate
CID 67070108
[(2S)-1-[[(1R)-1-cyano-2-phenylmethoxyethyl]amino]-4-methyl-1-oxopentan-2-yl] N-benzylcarbamate
CID 10159329
benzene;ethyl N-benzylcarbamate
CID 67715166
[(2R)-1-bromo-3-phenylmethoxypropan-2-yl] acetate
CID 118705262
but-3-en-2-yl N-benzylcarbamate
CID 130012657
2-ethylpentyl N-benzylcarbamate
CID 58269941
1-phenoxybutan-2-yl N-propylcarbamate
CID 143240308

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxybutan-2-yl N-benzylcarbamate?
The IUPAC name of 1-phenylmethoxybutan-2-yl N-benzylcarbamate (CID 101250617) is 1-phenylmethoxybutan-2-yl N-benzylcarbamate.
What is the SMILES notation for 1-phenylmethoxybutan-2-yl N-benzylcarbamate?
The canonical SMILES for 1-phenylmethoxybutan-2-yl N-benzylcarbamate is CCC(COCc1ccccc1)OC(=O)NCc1ccccc1.
What is the InChIKey of 1-phenylmethoxybutan-2-yl N-benzylcarbamate?
The InChIKey is CXGDYSAKSCOQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-2-18(15-22-14-17-11-7-4-8-12-17)23-19(21)20-13-16-9-5-3-6-10-16/h3-12,18H,2,13-15H2,1H3,(H,20,21).
What are the key properties of 1-phenylmethoxybutan-2-yl N-benzylcarbamate?
1-phenylmethoxybutan-2-yl N-benzylcarbamate has a molecular weight of 313.40 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxybutan-2-yl N-benzylcarbamate is sourced from PubChem (CID 101250617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).