(4-methylphenyl)-(2-methylpropyl)carbamic acid;yttrium

C12H17NO2Y — CID 161236037

IUPAC(4-methylphenyl)-(2-methylpropyl)carbamic acid;yttrium
SMILESCc1ccc(N(CC(C)C)C(=O)O)cc1.[Y]
InChIInChI=1S/C12H17NO2.Y/c1-9(2)8-13(12(14)15)11-6-4-10(3)5-7-11;/h4-7,9H,8H2,1-3H3,(H,14,15);
InChIKeyRCFJDMNLIZMQPK-UHFFFAOYSA-N
MW296.18 g/mol
LogP3.13
Rot. Bonds3

About (4-methylphenyl)-(2-methylpropyl)carbamic acid;yttrium

(4-methylphenyl)-(2-methylpropyl)carbamic acid;yttrium (PubChem CID 161236037) has the molecular formula C12H17NO2Y and a molecular weight of 296.18 g/mol. Its IUPAC name is (4-methylphenyl)-(2-methylpropyl)carbamic acid;yttrium.

Molecular Properties

Compound Name(4-methylphenyl)-(2-methylpropyl)carbamic acid;yttrium
PubChem CID161236037
Molecular FormulaC12H17NO2Y
Molecular Weight296.18 g/mol
Exact Mass296.03
IUPAC Name(4-methylphenyl)-(2-methylpropyl)carbamic acid;yttrium
SMILESCc1ccc(N(CC(C)C)C(=O)O)cc1.[Y]
InChIInChI=1S/C12H17NO2.Y/c1-9(2)8-13(12(14)15)11-6-4-10(3)5-7-11;/h4-7,9H,8H2,1-3H3,(H,14,15);
InChIKeyRCFJDMNLIZMQPK-UHFFFAOYSA-N
XLogP3.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.18
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethoxyethyl-(4-methylphenyl)carbamic acid
CID 154106281
3-(4-methyl-N-[methyl(2-methylpropyl)carbamoyl]anilino)propanoic acid
CID 61196438
2-[4-methyl-N-(4-methylpentanoyl)anilino]acetic acid
CID 60830764
N-ethyl-2-methyl-N-(4-methylphenyl)propanamide
CID 60737044
N-(2-methylpropyl)-N-phenylcarbamoyl chloride
CID 20551108
(4-methylphenyl)-[(2,3,4,5,6-pentafluorophenyl)methyl]carbamic acid
CID 150356013
[(2S)-3-hydroxy-2-methylpropyl]-phenylcarbamic acid
CID 54211065
3-(N-[2-hydroxypropyl(methyl)carbamoyl]-4-methylanilino)propanoic acid
CID 62338364
2-[4-methyl-N-(5-methylhexan-2-yl)anilino]acetic acid
CID 65059313
ethane;4-methyl-N-(2-methylpropyl)-N-phenylaniline
CID 144663906
(2R)-2-amino-N-ethyl-N-(4-methylphenyl)propanamide
CID 78979225
2-[4-methyl-N-[2-(methylamino)propanoyl]anilino]acetic acid
CID 62638790

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(2-methylpropyl)carbamic acid;yttrium?
The IUPAC name of (4-methylphenyl)-(2-methylpropyl)carbamic acid;yttrium (CID 161236037) is (4-methylphenyl)-(2-methylpropyl)carbamic acid;yttrium.
What is the SMILES notation for (4-methylphenyl)-(2-methylpropyl)carbamic acid;yttrium?
The canonical SMILES for (4-methylphenyl)-(2-methylpropyl)carbamic acid;yttrium is Cc1ccc(N(CC(C)C)C(=O)O)cc1.[Y].
What is the InChIKey of (4-methylphenyl)-(2-methylpropyl)carbamic acid;yttrium?
The InChIKey is RCFJDMNLIZMQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.Y/c1-9(2)8-13(12(14)15)11-6-4-10(3)5-7-11;/h4-7,9H,8H2,1-3H3,(H,14,15);.
What are the key properties of (4-methylphenyl)-(2-methylpropyl)carbamic acid;yttrium?
(4-methylphenyl)-(2-methylpropyl)carbamic acid;yttrium has a molecular weight of 296.18 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(2-methylpropyl)carbamic acid;yttrium is sourced from PubChem (CID 161236037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).