ethyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate

C13H19NO3 — CID 91156636

IUPACethyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate
SMILESCCOC(=O)NC(Cc1ccccc1)C(C)O
InChIInChI=1S/C13H19NO3/c1-3-17-13(16)14-12(10(2)15)9-11-7-5-4-6-8-11/h4-8,10,12,15H,3,9H2,1-2H3,(H,14,16)
InChIKeyQIRXFNDHPSZDRL-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.72
Rot. Bonds5

About ethyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate

ethyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate (PubChem CID 91156636) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate
PubChem CID91156636
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nameethyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate
SMILESCCOC(=O)NC(Cc1ccccc1)C(C)O
InChIInChI=1S/C13H19NO3/c1-3-17-13(16)14-12(10(2)15)9-11-7-5-4-6-8-11/h4-8,10,12,15H,3,9H2,1-2H3,(H,14,16)
InChIKeyQIRXFNDHPSZDRL-UHFFFAOYSA-N
XLogP1.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-(4,4-dichloro-3-hydroxy-1-phenylbutan-2-yl)carbamate
CID 57086761
ethyl N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)carbamate
CID 102520251
[(2S)-3-hydroxy-1-phenylbutan-2-yl]thiourea
CID 174398646
benzyl N-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methyl-1,6-diphenylhexan-2-yl]carbamate
CID 58416941
benzyl N-(4-hydroxyhexan-3-yl)carbamate
CID 131068956
methyl (2R,3S)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoate
CID 11046151
ethyl N-(4,4-dibromo-3-oxo-1-phenylbutan-2-yl)carbamate
CID 22066221
(2S,3R)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoic acid
CID 11067450
ethyl (3S)-4-methyl-3-(phenylmethoxycarbonylamino)pentanoate
CID 54226118
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
[(2S,3S)-4-ethoxy-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 69072488
butyl N-[(2S,3S)-4-amino-3-hydroxy-6-methyl-1-phenylheptan-2-yl]carbamate
CID 70243931

Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate?
The IUPAC name of ethyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate (CID 91156636) is ethyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate.
What is the SMILES notation for ethyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate?
The canonical SMILES for ethyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate is CCOC(=O)NC(Cc1ccccc1)C(C)O.
What is the InChIKey of ethyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate?
The InChIKey is QIRXFNDHPSZDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-17-13(16)14-12(10(2)15)9-11-7-5-4-6-8-11/h4-8,10,12,15H,3,9H2,1-2H3,(H,14,16).
What are the key properties of ethyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate?
ethyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate has a molecular weight of 237.30 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate is sourced from PubChem (CID 91156636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).