(4-methoxyphenyl) N-(2-amino-2-methylpropyl)carbamate

C12H18N2O3 — CID 83824610

IUPAC(4-methoxyphenyl) N-(2-amino-2-methylpropyl)carbamate
SMILESCOc1ccc(OC(=O)NCC(C)(C)N)cc1
InChIInChI=1S/C12H18N2O3/c1-12(2,13)8-14-11(15)17-10-6-4-9(16-3)5-7-10/h4-7H,8,13H2,1-3H3,(H,14,15)
InChIKeyFMOKALVJJDMDGI-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.52
Rot. Bonds4

About (4-methoxyphenyl) N-(2-amino-2-methylpropyl)carbamate

(4-methoxyphenyl) N-(2-amino-2-methylpropyl)carbamate (PubChem CID 83824610) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is (4-methoxyphenyl) N-(2-amino-2-methylpropyl)carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl) N-(2-amino-2-methylpropyl)carbamate
PubChem CID83824610
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name(4-methoxyphenyl) N-(2-amino-2-methylpropyl)carbamate
SMILESCOc1ccc(OC(=O)NCC(C)(C)N)cc1
InChIInChI=1S/C12H18N2O3/c1-12(2,13)8-14-11(15)17-10-6-4-9(16-3)5-7-10/h4-7H,8,13H2,1-3H3,(H,14,15)
InChIKeyFMOKALVJJDMDGI-UHFFFAOYSA-N
XLogP1.52
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl) N-(2-methoxyethyl)carbamate
CID 121219063
N-(2-amino-2-methylpropyl)-4-(4-methoxyphenoxy)butanamide
CID 119625857
N-(2-amino-2-methylpropyl)-2-(4-methoxyphenyl)sulfanylpropanamide;hydrochloride
CID 119625878
N-(2-amino-2-methylpropyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 119626658
bis(4-methoxyphenyl) propanedioate
CID 12000137
N-(2-amino-2-methylpropyl)-6-methoxy-1H-indole-2-carboxamide
CID 110833540
phenyl N-(4-methoxy-2,2-dimethylbutyl)carbamate
CID 104625801
4-amino-1-(4-methoxyphenyl)-4-methylpentan-1-one
CID 116571375
phenyl N-(2-hydroxy-2-methylbutyl)carbamate
CID 65110904
phenyl N-(2-hydroxy-4-methoxy-2-methylbutyl)carbamate
CID 103712783
methyl 3-amino-3-(4-methoxyphenyl)butanoate
CID 79848680
N-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 115303620

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) N-(2-amino-2-methylpropyl)carbamate?
The IUPAC name of (4-methoxyphenyl) N-(2-amino-2-methylpropyl)carbamate (CID 83824610) is (4-methoxyphenyl) N-(2-amino-2-methylpropyl)carbamate.
What is the SMILES notation for (4-methoxyphenyl) N-(2-amino-2-methylpropyl)carbamate?
The canonical SMILES for (4-methoxyphenyl) N-(2-amino-2-methylpropyl)carbamate is COc1ccc(OC(=O)NCC(C)(C)N)cc1.
What is the InChIKey of (4-methoxyphenyl) N-(2-amino-2-methylpropyl)carbamate?
The InChIKey is FMOKALVJJDMDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-12(2,13)8-14-11(15)17-10-6-4-9(16-3)5-7-10/h4-7H,8,13H2,1-3H3,(H,14,15).
What are the key properties of (4-methoxyphenyl) N-(2-amino-2-methylpropyl)carbamate?
(4-methoxyphenyl) N-(2-amino-2-methylpropyl)carbamate has a molecular weight of 238.29 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) N-(2-amino-2-methylpropyl)carbamate is sourced from PubChem (CID 83824610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).