(2-hydroxy-3-phenylmethoxypropyl) N-benzylcarbamate

C18H21NO4 — CID 132559738

IUPAC(2-hydroxy-3-phenylmethoxypropyl) N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OCC(O)COCc1ccccc1
InChIInChI=1S/C18H21NO4/c20-17(13-22-12-16-9-5-2-6-10-16)14-23-18(21)19-11-15-7-3-1-4-8-15/h1-10,17,20H,11-14H2,(H,19,21)
InChIKeySTXOFQQDEFCFSO-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.49
Rot. Bonds8

About (2-hydroxy-3-phenylmethoxypropyl) N-benzylcarbamate

(2-hydroxy-3-phenylmethoxypropyl) N-benzylcarbamate (PubChem CID 132559738) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is (2-hydroxy-3-phenylmethoxypropyl) N-benzylcarbamate.

Molecular Properties

Compound Name(2-hydroxy-3-phenylmethoxypropyl) N-benzylcarbamate
PubChem CID132559738
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name(2-hydroxy-3-phenylmethoxypropyl) N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OCC(O)COCc1ccccc1
InChIInChI=1S/C18H21NO4/c20-17(13-22-12-16-9-5-2-6-10-16)14-23-18(21)19-11-15-7-3-1-4-8-15/h1-10,17,20H,11-14H2,(H,19,21)
InChIKeySTXOFQQDEFCFSO-UHFFFAOYSA-N
XLogP2.49
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenylmethoxybutan-2-yl N-benzylcarbamate
CID 101250617
1-(2-aminoethoxy)-3-phenylmethoxypropan-2-ol
CID 106939746
(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol
CID 10707267
1-amino-3-phenylmethoxypropan-2-ol;oxalic acid
CID 46735900
(3S)-3-hydroxy-4-phenylmethoxybutanehydrazide
CID 54516558
benzyl N-[[4-(2,3-dihydroxypropylamino)phenyl]methyl]carbamate
CID 168597249
(4-fluorophenyl)methyl N-benzylcarbamate
CID 11334433
4-(phenylmethoxycarbonylaminomethyl)benzoic acid
CID 1479997
benzene;ethyl N-benzylcarbamate
CID 67715166
(4-propan-2-ylphenyl)methyl N-benzylcarbamate
CID 141057085
3-hydroxybutyl N-benzylcarbamate
CID 142744474
2-ethylpentyl N-benzylcarbamate
CID 58269941

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-phenylmethoxypropyl) N-benzylcarbamate?
The IUPAC name of (2-hydroxy-3-phenylmethoxypropyl) N-benzylcarbamate (CID 132559738) is (2-hydroxy-3-phenylmethoxypropyl) N-benzylcarbamate.
What is the SMILES notation for (2-hydroxy-3-phenylmethoxypropyl) N-benzylcarbamate?
The canonical SMILES for (2-hydroxy-3-phenylmethoxypropyl) N-benzylcarbamate is O=C(NCc1ccccc1)OCC(O)COCc1ccccc1.
What is the InChIKey of (2-hydroxy-3-phenylmethoxypropyl) N-benzylcarbamate?
The InChIKey is STXOFQQDEFCFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c20-17(13-22-12-16-9-5-2-6-10-16)14-23-18(21)19-11-15-7-3-1-4-8-15/h1-10,17,20H,11-14H2,(H,19,21).
What are the key properties of (2-hydroxy-3-phenylmethoxypropyl) N-benzylcarbamate?
(2-hydroxy-3-phenylmethoxypropyl) N-benzylcarbamate has a molecular weight of 315.37 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-phenylmethoxypropyl) N-benzylcarbamate is sourced from PubChem (CID 132559738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).