2-(2-methylphenyl)ethyl-propylcarbamic acid

C13H19NO2 — CID 144705989

IUPAC2-(2-methylphenyl)ethyl-propylcarbamic acid
SMILESCCCN(CCc1ccccc1C)C(=O)O
InChIInChI=1S/C13H19NO2/c1-3-9-14(13(15)16)10-8-12-7-5-4-6-11(12)2/h4-7H,3,8-10H2,1-2H3,(H,15,16)
InChIKeyGLYZVXDSXNZQRF-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.93
Rot. Bonds5

About 2-(2-methylphenyl)ethyl-propylcarbamic acid

2-(2-methylphenyl)ethyl-propylcarbamic acid (PubChem CID 144705989) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(2-methylphenyl)ethyl-propylcarbamic acid.

Molecular Properties

Compound Name2-(2-methylphenyl)ethyl-propylcarbamic acid
PubChem CID144705989
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(2-methylphenyl)ethyl-propylcarbamic acid
SMILESCCCN(CCc1ccccc1C)C(=O)O
InChIInChI=1S/C13H19NO2/c1-3-9-14(13(15)16)10-8-12-7-5-4-6-11(12)2/h4-7H,3,8-10H2,1-2H3,(H,15,16)
InChIKeyGLYZVXDSXNZQRF-UHFFFAOYSA-N
XLogP2.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-methylphenyl)-N,N-dipropylacetamide
CID 86977350
2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-propylamino]acetic acid
CID 61412234
N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-propylacetamide
CID 60656670
ethyl 2-[methyl-[2-(2-methylphenyl)ethyl]amino]acetate
CID 115257571
2-[(2-methylphenyl)methylcarbamoyl-propylamino]acetic acid
CID 54978487
1-methyl-1-[2-(2-methylphenyl)ethyl]urea
CID 115168706
(5S)-3-azabicyclo[3.2.1]octane;ethyl-[2-(2-methylphenyl)ethyl]carbamic acid;fluorobenzene
CID 170615838
4-[methyl-[2-(2-methylphenyl)ethyl]amino]-4-oxobutanoic acid
CID 94689747
acetic acid;1-ethyl-2-methylbenzene
CID 67948051
N-methyl-N-[2-(2-methylphenyl)ethyl]-2-oxoacetamide
CID 115166755
3-[(2-methylphenyl)methylamino]-N,N-dipropylpropanamide
CID 109019300
[2-(2,3-dihydroxyphenyl)ethyl-propylcarbamoyl]-ethylcarbamic acid
CID 91091274

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)ethyl-propylcarbamic acid?
The IUPAC name of 2-(2-methylphenyl)ethyl-propylcarbamic acid (CID 144705989) is 2-(2-methylphenyl)ethyl-propylcarbamic acid.
What is the SMILES notation for 2-(2-methylphenyl)ethyl-propylcarbamic acid?
The canonical SMILES for 2-(2-methylphenyl)ethyl-propylcarbamic acid is CCCN(CCc1ccccc1C)C(=O)O.
What is the InChIKey of 2-(2-methylphenyl)ethyl-propylcarbamic acid?
The InChIKey is GLYZVXDSXNZQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-9-14(13(15)16)10-8-12-7-5-4-6-11(12)2/h4-7H,3,8-10H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-methylphenyl)ethyl-propylcarbamic acid?
2-(2-methylphenyl)ethyl-propylcarbamic acid has a molecular weight of 221.30 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)ethyl-propylcarbamic acid is sourced from PubChem (CID 144705989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).