methyl N-(4-methoxy-4-methylpentan-2-yl)carbamate

C9H19NO3 — CID 173238206

IUPACmethyl N-(4-methoxy-4-methylpentan-2-yl)carbamate
SMILESCOC(=O)NC(C)CC(C)(C)OC
InChIInChI=1S/C9H19NO3/c1-7(10-8(11)12-4)6-9(2,3)13-5/h7H,6H2,1-5H3,(H,10,11)
InChIKeyPTTBAWNGFRGYFF-UHFFFAOYSA-N
MW189.25 g/mol
LogP1.55
Rot. Bonds4

About methyl N-(4-methoxy-4-methylpentan-2-yl)carbamate

methyl N-(4-methoxy-4-methylpentan-2-yl)carbamate (PubChem CID 173238206) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is methyl N-(4-methoxy-4-methylpentan-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-methoxy-4-methylpentan-2-yl)carbamate
PubChem CID173238206
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Namemethyl N-(4-methoxy-4-methylpentan-2-yl)carbamate
SMILESCOC(=O)NC(C)CC(C)(C)OC
InChIInChI=1S/C9H19NO3/c1-7(10-8(11)12-4)6-9(2,3)13-5/h7H,6H2,1-5H3,(H,10,11)
InChIKeyPTTBAWNGFRGYFF-UHFFFAOYSA-N
XLogP1.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl N-(4-methoxy-4-methylpentan-2-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxy-4-methylpentan-2-yl)hydroxylamine
CID 82684700
tert-butyl N-[(4-methoxy-4-methylpentan-2-yl)amino]carbamate
CID 107236759
N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119803241
tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate
CID 59686952
4-amino-N-(4-methoxy-4-methylpentan-2-yl)butanamide
CID 119334828
methyl N-(4-methylpentan-2-yl)carbamate
CID 88914319
7-amino-N-(4-methoxy-4-methylpentan-2-yl)heptanamide;hydrochloride
CID 119803209
methyl 4-methoxy-2,4-dimethylpentanoate
CID 22982800
4-methoxy-N-(4-methoxy-4-methylpentan-2-yl)piperidine-4-carboxamide
CID 119803250
4-methoxy-N-(2-methoxy-2-methylpropyl)-4-methylpentan-2-amine
CID 115728657
[(2R)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 29014952
1-[(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropan-2-ol
CID 65103997

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-methoxy-4-methylpentan-2-yl)carbamate?
The IUPAC name of methyl N-(4-methoxy-4-methylpentan-2-yl)carbamate (CID 173238206) is methyl N-(4-methoxy-4-methylpentan-2-yl)carbamate.
What is the SMILES notation for methyl N-(4-methoxy-4-methylpentan-2-yl)carbamate?
The canonical SMILES for methyl N-(4-methoxy-4-methylpentan-2-yl)carbamate is COC(=O)NC(C)CC(C)(C)OC.
What is the InChIKey of methyl N-(4-methoxy-4-methylpentan-2-yl)carbamate?
The InChIKey is PTTBAWNGFRGYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-7(10-8(11)12-4)6-9(2,3)13-5/h7H,6H2,1-5H3,(H,10,11).
What are the key properties of methyl N-(4-methoxy-4-methylpentan-2-yl)carbamate?
methyl N-(4-methoxy-4-methylpentan-2-yl)carbamate has a molecular weight of 189.25 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-methoxy-4-methylpentan-2-yl)carbamate is sourced from PubChem (CID 173238206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).