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

C13H19NO2 — CID 57234831

IUPACmethyl-(3-pentan-2-ylphenyl)carbamic acid
SMILESCCCC(C)c1cccc(N(C)C(=O)O)c1
InChIInChI=1S/C13H19NO2/c1-4-6-10(2)11-7-5-8-12(9-11)14(3)13(15)16/h5,7-10H,4,6H2,1-3H3,(H,15,16)
InChIKeyLEKYREHQWYXIIO-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.70
Rot. Bonds4

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

methyl-(3-pentan-2-ylphenyl)carbamic acid (PubChem CID 57234831) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is methyl-(3-pentan-2-ylphenyl)carbamic acid.

Molecular Properties

Compound Namemethyl-(3-pentan-2-ylphenyl)carbamic acid
PubChem CID57234831
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namemethyl-(3-pentan-2-ylphenyl)carbamic acid
SMILESCCCC(C)c1cccc(N(C)C(=O)O)c1
InChIInChI=1S/C13H19NO2/c1-4-6-10(2)11-7-5-8-12(9-11)14(3)13(15)16/h5,7-10H,4,6H2,1-3H3,(H,15,16)
InChIKeyLEKYREHQWYXIIO-UHFFFAOYSA-N
XLogP3.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl-(3-pentan-2-ylphenyl)carbamic acid;methyl-(2-propan-2-ylphenyl)carbamic acid
CID 158487142
methylcarbamic acid;3-pentan-2-ylphenol
CID 174607568
pentan-2-ylbenzene
CID 17627
3-amino-N-methyl-N-(3-propan-2-ylphenyl)propanamide
CID 119305753
(3-hydroxyphenyl)-methylcarbamic acid
CID 20544632
methyl-[3-[propan-2-yl(prop-2-ynyl)amino]phenyl]carbamic acid
CID 154362582
3-pentan-2-ylbenzaldehyde
CID 139685912
N-methyl-N-(3-propan-2-ylphenyl)-2-sulfanylacetamide
CID 21131546
N-(3-hydroxyphenyl)-N,4-dimethylpentanamide
CID 107735895
carboxy-(3,4-dimethylphenyl)-methyl-[(3-pentan-2-ylphenyl)-propylcarbamoyl]oxyazanium
CID 88785490
N-(3-cyanophenyl)-N,2-dimethylpentanamide
CID 55151892
(2R)-2-amino-N-methyl-N-(3-methylphenyl)pentanamide
CID 103794882

Frequently Asked Questions

What is the IUPAC name of methyl-(3-pentan-2-ylphenyl)carbamic acid?
The IUPAC name of methyl-(3-pentan-2-ylphenyl)carbamic acid (CID 57234831) is methyl-(3-pentan-2-ylphenyl)carbamic acid.
What is the SMILES notation for methyl-(3-pentan-2-ylphenyl)carbamic acid?
The canonical SMILES for methyl-(3-pentan-2-ylphenyl)carbamic acid is CCCC(C)c1cccc(N(C)C(=O)O)c1.
What is the InChIKey of methyl-(3-pentan-2-ylphenyl)carbamic acid?
The InChIKey is LEKYREHQWYXIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-6-10(2)11-7-5-8-12(9-11)14(3)13(15)16/h5,7-10H,4,6H2,1-3H3,(H,15,16).
What are the key properties of methyl-(3-pentan-2-ylphenyl)carbamic acid?
methyl-(3-pentan-2-ylphenyl)carbamic acid has a molecular weight of 221.30 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(3-pentan-2-ylphenyl)carbamic acid is sourced from PubChem (CID 57234831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).