methyl-(3-pentan-2-ylphenyl)carbamic acid;methyl-(2-propan-2-ylphenyl)carbamic acid

C24H34N2O4 — CID 158487142

IUPACmethyl-(3-pentan-2-ylphenyl)carbamic acid;methyl-(2-propan-2-ylphenyl)carbamic acid
SMILESCC(C)c1ccccc1N(C)C(=O)O.CCCC(C)c1cccc(N(C)C(=O)O)c1
InChIInChI=1S/C13H19NO2.C11H15NO2/c1-4-6-10(2)11-7-5-8-12(9-11)14(3)13(15)16;1-8(2)9-6-4-5-7-10(9)12(3)11(13)14/h5,7-10H,4,6H2,1-3H3,(H,15,16);4-8H,1-3H3,(H,13,14)
InChIKeyHIFUZWHABXKGPZ-UHFFFAOYSA-N
MW414.55 g/mol
LogP6.63
Rot. Bonds6

About methyl-(3-pentan-2-ylphenyl)carbamic acid;methyl-(2-propan-2-ylphenyl)carbamic acid

methyl-(3-pentan-2-ylphenyl)carbamic acid;methyl-(2-propan-2-ylphenyl)carbamic acid (PubChem CID 158487142) has the molecular formula C24H34N2O4 and a molecular weight of 414.55 g/mol. Its IUPAC name is methyl-(3-pentan-2-ylphenyl)carbamic acid;methyl-(2-propan-2-ylphenyl)carbamic acid.

Molecular Properties

Compound Namemethyl-(3-pentan-2-ylphenyl)carbamic acid;methyl-(2-propan-2-ylphenyl)carbamic acid
PubChem CID158487142
Molecular FormulaC24H34N2O4
Molecular Weight414.55 g/mol
Exact Mass414.25
IUPAC Namemethyl-(3-pentan-2-ylphenyl)carbamic acid;methyl-(2-propan-2-ylphenyl)carbamic acid
SMILESCC(C)c1ccccc1N(C)C(=O)O.CCCC(C)c1cccc(N(C)C(=O)O)c1
InChIInChI=1S/C13H19NO2.C11H15NO2/c1-4-6-10(2)11-7-5-8-12(9-11)14(3)13(15)16;1-8(2)9-6-4-5-7-10(9)12(3)11(13)14/h5,7-10H,4,6H2,1-3H3,(H,15,16);4-8H,1-3H3,(H,13,14)
InChIKeyHIFUZWHABXKGPZ-UHFFFAOYSA-N
XLogP6.63
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl-(3-pentan-2-ylphenyl)carbamic acid
CID 57234831
3-amino-N-methyl-N-(2-propan-2-ylphenyl)propanamide
CID 28795019
pentan-2-ylbenzene
CID 17627
3-amino-N-methyl-N-(3-propan-2-ylphenyl)propanamide
CID 119305753
(2-but-3-en-2-ylphenyl)-methylcarbamic acid
CID 70538258
methylcarbamic acid;3-pentan-2-ylphenol
CID 174607568
N-methyl-N-(3-propan-2-ylphenyl)-2-sulfanylacetamide
CID 21131546
methyl-[3-[propan-2-yl(prop-2-ynyl)amino]phenyl]carbamic acid
CID 154362582
(3-hydroxyphenyl)-methylcarbamic acid
CID 20544632
3-pentan-2-ylbenzaldehyde
CID 139685912
N,3-dimethyl-N-phenylpentanamide
CID 147359069
N-methyl-N-propan-2-yl-2-(2-propan-2-ylphenyl)acetamide
CID 59961759

Frequently Asked Questions

What is the IUPAC name of methyl-(3-pentan-2-ylphenyl)carbamic acid;methyl-(2-propan-2-ylphenyl)carbamic acid?
The IUPAC name of methyl-(3-pentan-2-ylphenyl)carbamic acid;methyl-(2-propan-2-ylphenyl)carbamic acid (CID 158487142) is methyl-(3-pentan-2-ylphenyl)carbamic acid;methyl-(2-propan-2-ylphenyl)carbamic acid.
What is the SMILES notation for methyl-(3-pentan-2-ylphenyl)carbamic acid;methyl-(2-propan-2-ylphenyl)carbamic acid?
The canonical SMILES for methyl-(3-pentan-2-ylphenyl)carbamic acid;methyl-(2-propan-2-ylphenyl)carbamic acid is CC(C)c1ccccc1N(C)C(=O)O.CCCC(C)c1cccc(N(C)C(=O)O)c1.
What is the InChIKey of methyl-(3-pentan-2-ylphenyl)carbamic acid;methyl-(2-propan-2-ylphenyl)carbamic acid?
The InChIKey is HIFUZWHABXKGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2.C11H15NO2/c1-4-6-10(2)11-7-5-8-12(9-11)14(3)13(15)16;1-8(2)9-6-4-5-7-10(9)12(3)11(13)14/h5,7-10H,4,6H2,1-3H3,(H,15,16);4-8H,1-3H3,(H,13,14).
What are the key properties of methyl-(3-pentan-2-ylphenyl)carbamic acid;methyl-(2-propan-2-ylphenyl)carbamic acid?
methyl-(3-pentan-2-ylphenyl)carbamic acid;methyl-(2-propan-2-ylphenyl)carbamic acid has a molecular weight of 414.55 g/mol, XLogP of 6.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(3-pentan-2-ylphenyl)carbamic acid;methyl-(2-propan-2-ylphenyl)carbamic acid is sourced from PubChem (CID 158487142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).