(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate

C24H34N2O4 — CID 23447077

IUPAC(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1cc(C)cc(C(C)C)c1.CNC(=O)Oc1cc(C)cc(C(C)C)c1
InChIInChI=1S/2C12H17NO2/c2*1-8(2)10-5-9(3)6-11(7-10)15-12(14)13-4/h2*5-8H,1-4H3,(H,13,14)
InChIKeyKTTDPHMEGYUOOS-UHFFFAOYSA-N
MW414.55 g/mol
LogP5.67
Rot. Bonds4

About (3-methyl-5-propan-2-ylphenyl) N-methylcarbamate

(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate (PubChem CID 23447077) has the molecular formula C24H34N2O4 and a molecular weight of 414.55 g/mol. Its IUPAC name is (3-methyl-5-propan-2-ylphenyl) N-methylcarbamate.

Molecular Properties

Compound Name(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate
PubChem CID23447077
Molecular FormulaC24H34N2O4
Molecular Weight414.55 g/mol
Exact Mass414.25
IUPAC Name(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1cc(C)cc(C(C)C)c1.CNC(=O)Oc1cc(C)cc(C(C)C)c1
InChIInChI=1S/2C12H17NO2/c2*1-8(2)10-5-9(3)6-11(7-10)15-12(14)13-4/h2*5-8H,1-4H3,(H,13,14)
InChIKeyKTTDPHMEGYUOOS-UHFFFAOYSA-N
XLogP5.67
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1-hydroxyethyl)-5-methylphenyl] N-methylcarbamate
CID 154515716
(3,5-dimethylphenyl) N-methylcarbamate
CID 17563
(3-tert-butyl-5-methylphenyl) N-methylcarbamate
CID 23274278
[3-methyl-5-(methylcarbamoyloxy)phenyl] N,N-dimethylcarbamate
CID 142031246
1-but-2-en-2-yloxy-3-methyl-5-propan-2-ylbenzene
CID 57053042
(3-methyl-5-propan-2-ylphenyl) 3,5-dichlorobenzoate
CID 2445360
(3,5-dimethylphenyl) N-propan-2-ylcarbamate
CID 54452790
(2,3,5-trimethylphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate
CID 25549
4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene;(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate
CID 67718265
4-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one
CID 64697542
(3-methyl-5-propan-2-ylphenyl) 4-amino-2-hydroxybenzoate
CID 21148127
(3,5-dimethylphenyl) 4-propan-2-ylbenzoate
CID 1406526

Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-propan-2-ylphenyl) N-methylcarbamate?
The IUPAC name of (3-methyl-5-propan-2-ylphenyl) N-methylcarbamate (CID 23447077) is (3-methyl-5-propan-2-ylphenyl) N-methylcarbamate.
What is the SMILES notation for (3-methyl-5-propan-2-ylphenyl) N-methylcarbamate?
The canonical SMILES for (3-methyl-5-propan-2-ylphenyl) N-methylcarbamate is CNC(=O)Oc1cc(C)cc(C(C)C)c1.CNC(=O)Oc1cc(C)cc(C(C)C)c1.
What is the InChIKey of (3-methyl-5-propan-2-ylphenyl) N-methylcarbamate?
The InChIKey is KTTDPHMEGYUOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H17NO2/c2*1-8(2)10-5-9(3)6-11(7-10)15-12(14)13-4/h2*5-8H,1-4H3,(H,13,14).
What are the key properties of (3-methyl-5-propan-2-ylphenyl) N-methylcarbamate?
(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate has a molecular weight of 414.55 g/mol, XLogP of 5.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-propan-2-ylphenyl) N-methylcarbamate is sourced from PubChem (CID 23447077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).