ethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate

C13H19NO2 — CID 40507045

IUPACethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc([C@@H](C)CC)cc1
InChIInChI=1S/C13H19NO2/c1-4-10(3)11-6-8-12(9-7-11)14-13(15)16-5-2/h6-10H,4-5H2,1-3H3,(H,14,15)/t10-/m0/s1
InChIKeyDKWVUSOLYGNTKY-JTQLQIEISA-N
MW221.30 g/mol
LogP3.77
Rot. Bonds4

About ethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate

ethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate (PubChem CID 40507045) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is ethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate
PubChem CID40507045
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Nameethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc([C@@H](C)CC)cc1
InChIInChI=1S/C13H19NO2/c1-4-10(3)11-6-8-12(9-7-11)14-13(15)16-5-2/h6-10H,4-5H2,1-3H3,(H,14,15)/t10-/m0/s1
InChIKeyDKWVUSOLYGNTKY-JTQLQIEISA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-(4-butan-2-ylanilino)-4-oxobutanoate
CID 60637740
ethyl N-[4-(pentan-3-ylamino)phenyl]carbamate
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CID 8905278
ethyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate
CID 43508328
2-amino-N-(4-butan-2-ylphenyl)acetamide
CID 43218233
2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide
CID 43702138
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
ethyl N-(4-propan-2-yloxyphenyl)carbamate
CID 731078
ethyl N-[4-(3-methylbutan-2-ylamino)phenyl]carbamate
CID 43703972
ethyl N-[4-[[(2R,3R)-2-ethyl-3-hydroxybutanoyl]amino]phenyl]carbamate
CID 99794465
ethyl N-[4-[[(2S)-2-phenylpropyl]carbamoyl]phenyl]carbamate
CID 9427411
N-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide
CID 2384376

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate (CID 40507045) is ethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate is CCOC(=O)Nc1ccc([C@@H](C)CC)cc1.
What is the InChIKey of ethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate?
The InChIKey is DKWVUSOLYGNTKY-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-10(3)11-6-8-12(9-7-11)14-13(15)16-5-2/h6-10H,4-5H2,1-3H3,(H,14,15)/t10-/m0/s1.
What are the key properties of ethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate?
ethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate has a molecular weight of 221.30 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate is sourced from PubChem (CID 40507045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).