(3-propan-2-ylphenyl) N-(2-amino-2-oxoethyl)-N-methylcarbamate

C13H18N2O3 — CID 59994554

IUPAC(3-propan-2-ylphenyl) N-(2-amino-2-oxoethyl)-N-methylcarbamate
SMILESCC(C)c1cccc(OC(=O)N(C)CC(N)=O)c1
InChIInChI=1S/C13H18N2O3/c1-9(2)10-5-4-6-11(7-10)18-13(17)15(3)8-12(14)16/h4-7,9H,8H2,1-3H3,(H2,14,16)
InChIKeyPVVMZVHFHPENDA-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.73
Rot. Bonds4

About (3-propan-2-ylphenyl) N-(2-amino-2-oxoethyl)-N-methylcarbamate

(3-propan-2-ylphenyl) N-(2-amino-2-oxoethyl)-N-methylcarbamate (PubChem CID 59994554) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (3-propan-2-ylphenyl) N-(2-amino-2-oxoethyl)-N-methylcarbamate.

Molecular Properties

Compound Name(3-propan-2-ylphenyl) N-(2-amino-2-oxoethyl)-N-methylcarbamate
PubChem CID59994554
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(3-propan-2-ylphenyl) N-(2-amino-2-oxoethyl)-N-methylcarbamate
SMILESCC(C)c1cccc(OC(=O)N(C)CC(N)=O)c1
InChIInChI=1S/C13H18N2O3/c1-9(2)10-5-4-6-11(7-10)18-13(17)15(3)8-12(14)16/h4-7,9H,8H2,1-3H3,(H2,14,16)
InChIKeyPVVMZVHFHPENDA-UHFFFAOYSA-N
XLogP1.73
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-propan-2-ylphenyl) 2-(dimethylamino)acetate
CID 91261500
[3-[1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate;hydron
CID 23160019
[3-[(1S)-1-[bis(trideuteriomethyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate
CID 10777494
[3-[(1S)-1-[methyl(trideuteriomethyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate;hydrochloride
CID 171391643
(3-propan-2-ylphenyl) N-methyl-N-morpholin-4-ylsulfanylcarbamate
CID 88617985
2-[methyl-(3-methylphenoxy)carbonylamino]acetic acid
CID 116819537
4-oxo-4-(3-propan-2-ylphenoxy)butanoic acid
CID 94263248
[3-[(1S)-1-(dimethylamino)ethyl]phenyl] N,N-bis(trideuteriomethyl)carbamate
CID 169437716
2,3-dihydroxybutanedioic acid;[3-[1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate
CID 14254240
(3-propan-2-ylphenyl) N-propan-2-ylcarbamate
CID 127551398
(3-propan-2-ylphenyl) 2-(2-amino-2-oxoethyl)sulfanylpyridine-3-carboxylate
CID 9488899
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(3-propan-2-ylphenoxy)propanamide
CID 43291263

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-ylphenyl) N-(2-amino-2-oxoethyl)-N-methylcarbamate?
The IUPAC name of (3-propan-2-ylphenyl) N-(2-amino-2-oxoethyl)-N-methylcarbamate (CID 59994554) is (3-propan-2-ylphenyl) N-(2-amino-2-oxoethyl)-N-methylcarbamate.
What is the SMILES notation for (3-propan-2-ylphenyl) N-(2-amino-2-oxoethyl)-N-methylcarbamate?
The canonical SMILES for (3-propan-2-ylphenyl) N-(2-amino-2-oxoethyl)-N-methylcarbamate is CC(C)c1cccc(OC(=O)N(C)CC(N)=O)c1.
What is the InChIKey of (3-propan-2-ylphenyl) N-(2-amino-2-oxoethyl)-N-methylcarbamate?
The InChIKey is PVVMZVHFHPENDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(2)10-5-4-6-11(7-10)18-13(17)15(3)8-12(14)16/h4-7,9H,8H2,1-3H3,(H2,14,16).
What are the key properties of (3-propan-2-ylphenyl) N-(2-amino-2-oxoethyl)-N-methylcarbamate?
(3-propan-2-ylphenyl) N-(2-amino-2-oxoethyl)-N-methylcarbamate has a molecular weight of 250.30 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-ylphenyl) N-(2-amino-2-oxoethyl)-N-methylcarbamate is sourced from PubChem (CID 59994554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).