[(2R)-2,3-dimethylbutyl] N-(4-methylphenyl)carbamate;molecular hydrogen

C14H23NO2 — CID 155739096

IUPAC[(2R)-2,3-dimethylbutyl] N-(4-methylphenyl)carbamate;molecular hydrogen
SMILESCc1ccc(NC(=O)OC[C@H](C)C(C)C)cc1.[H][H]
InChIInChI=1S/C14H21NO2.H2/c1-10(2)12(4)9-17-14(16)15-13-7-5-11(3)6-8-13;/h5-8,10,12H,9H2,1-4H3,(H,15,16);1H/t12-;/m0./s1
InChIKeyJPKWEQDRTANMMZ-YDALLXLXSA-N
MW237.34 g/mol
LogP4.08
Rot. Bonds4

About [(2R)-2,3-dimethylbutyl] N-(4-methylphenyl)carbamate;molecular hydrogen

[(2R)-2,3-dimethylbutyl] N-(4-methylphenyl)carbamate;molecular hydrogen (PubChem CID 155739096) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is [(2R)-2,3-dimethylbutyl] N-(4-methylphenyl)carbamate;molecular hydrogen.

Molecular Properties

Compound Name[(2R)-2,3-dimethylbutyl] N-(4-methylphenyl)carbamate;molecular hydrogen
PubChem CID155739096
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name[(2R)-2,3-dimethylbutyl] N-(4-methylphenyl)carbamate;molecular hydrogen
SMILESCc1ccc(NC(=O)OC[C@H](C)C(C)C)cc1.[H][H]
InChIInChI=1S/C14H21NO2.H2/c1-10(2)12(4)9-17-14(16)15-13-7-5-11(3)6-8-13;/h5-8,10,12H,9H2,1-4H3,(H,15,16);1H/t12-;/m0./s1
InChIKeyJPKWEQDRTANMMZ-YDALLXLXSA-N
XLogP4.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate
CID 18877627
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
2,3-dimethylpentyl N-(4-methoxyphenyl)carbamate
CID 155404047
amino N-(4-methylphenyl)carbamate
CID 22737872
2,3-dimethylbutyl N-(1-methylpyrazol-4-yl)carbamate
CID 155404223
2-ethoxyethyl N-(4-methylphenyl)carbamate
CID 4614670
ethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate
CID 40507045
ethyl N-[4-(3-methylbutan-2-ylamino)phenyl]carbamate
CID 43703972
butane;methyl N-(4-methylphenyl)carbamate
CID 155739087
N-(4-methylphenyl)-N'-(2-methylpropoxy)oxamide
CID 113304269
[3-(2-methylphenoxy)-2-[(4-methylphenyl)carbamoyloxy]propyl] N-(4-methylphenyl)carbamate
CID 4155350
[(2S)-3-(2-methylphenoxy)-2-[(4-methylphenyl)carbamoyloxy]propyl] N-(4-methylphenyl)carbamate
CID 92836608

Frequently Asked Questions

What is the IUPAC name of [(2R)-2,3-dimethylbutyl] N-(4-methylphenyl)carbamate;molecular hydrogen?
The IUPAC name of [(2R)-2,3-dimethylbutyl] N-(4-methylphenyl)carbamate;molecular hydrogen (CID 155739096) is [(2R)-2,3-dimethylbutyl] N-(4-methylphenyl)carbamate;molecular hydrogen.
What is the SMILES notation for [(2R)-2,3-dimethylbutyl] N-(4-methylphenyl)carbamate;molecular hydrogen?
The canonical SMILES for [(2R)-2,3-dimethylbutyl] N-(4-methylphenyl)carbamate;molecular hydrogen is Cc1ccc(NC(=O)OC[C@H](C)C(C)C)cc1.[H][H].
What is the InChIKey of [(2R)-2,3-dimethylbutyl] N-(4-methylphenyl)carbamate;molecular hydrogen?
The InChIKey is JPKWEQDRTANMMZ-YDALLXLXSA-N. The full InChI is InChI=1S/C14H21NO2.H2/c1-10(2)12(4)9-17-14(16)15-13-7-5-11(3)6-8-13;/h5-8,10,12H,9H2,1-4H3,(H,15,16);1H/t12-;/m0./s1.
What are the key properties of [(2R)-2,3-dimethylbutyl] N-(4-methylphenyl)carbamate;molecular hydrogen?
[(2R)-2,3-dimethylbutyl] N-(4-methylphenyl)carbamate;molecular hydrogen has a molecular weight of 237.34 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2,3-dimethylbutyl] N-(4-methylphenyl)carbamate;molecular hydrogen is sourced from PubChem (CID 155739096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).