2-hydroxyethyl N-benzyl-N-butan-2-ylcarbamate

C14H21NO3 — CID 79345421

IUPAC2-hydroxyethyl N-benzyl-N-butan-2-ylcarbamate
SMILESCCC(C)N(Cc1ccccc1)C(=O)OCCO
InChIInChI=1S/C14H21NO3/c1-3-12(2)15(14(17)18-10-9-16)11-13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3
InChIKeyUFLQAZNBIINZAS-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.42
Rot. Bonds6

About 2-hydroxyethyl N-benzyl-N-butan-2-ylcarbamate

2-hydroxyethyl N-benzyl-N-butan-2-ylcarbamate (PubChem CID 79345421) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-hydroxyethyl N-benzyl-N-butan-2-ylcarbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-benzyl-N-butan-2-ylcarbamate
PubChem CID79345421
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-hydroxyethyl N-benzyl-N-butan-2-ylcarbamate
SMILESCCC(C)N(Cc1ccccc1)C(=O)OCCO
InChIInChI=1S/C14H21NO3/c1-3-12(2)15(14(17)18-10-9-16)11-13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3
InChIKeyUFLQAZNBIINZAS-UHFFFAOYSA-N
XLogP2.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl(butan-2-yl)carbamic acid
CID 18954164
2-amino-N-benzyl-N-butan-2-yl-4-methoxybutanamide
CID 62473405
N-benzyl-N-butan-2-ylbutanamide
CID 60717440
N-benzyl-N-butan-2-ylpentanamide
CID 78842113
3-amino-N-benzyl-N-butan-2-yl-2-methyl-3-phenylpropanamide
CID 119688833
N-benzyl-2-methoxy-N-propan-2-ylpropanamide
CID 115588172
N-benzyl-N-(1-hydroxy-3-methylpentan-2-yl)carbamate
CID 57368596
methyl (2R)-2-[[(2S)-2-aminopropanoyl]-benzylamino]butanoate
CID 171572065
benzyl N-benzyl-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate
CID 10883306
N-benzyl-N-butan-2-yl-3-(tert-butylamino)propanamide
CID 60937133
methyl (2S)-2-[acetyl(benzyl)amino]propanoate
CID 75437880
2-[benzyl(ethoxycarbonyl)amino]-3-phenylpropanoic acid
CID 10711290

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-benzyl-N-butan-2-ylcarbamate?
The IUPAC name of 2-hydroxyethyl N-benzyl-N-butan-2-ylcarbamate (CID 79345421) is 2-hydroxyethyl N-benzyl-N-butan-2-ylcarbamate.
What is the SMILES notation for 2-hydroxyethyl N-benzyl-N-butan-2-ylcarbamate?
The canonical SMILES for 2-hydroxyethyl N-benzyl-N-butan-2-ylcarbamate is CCC(C)N(Cc1ccccc1)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl N-benzyl-N-butan-2-ylcarbamate?
The InChIKey is UFLQAZNBIINZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-12(2)15(14(17)18-10-9-16)11-13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3.
What are the key properties of 2-hydroxyethyl N-benzyl-N-butan-2-ylcarbamate?
2-hydroxyethyl N-benzyl-N-butan-2-ylcarbamate has a molecular weight of 251.33 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-benzyl-N-butan-2-ylcarbamate is sourced from PubChem (CID 79345421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).