2-(tert-butylamino)ethyl N-methyl-N-phenylcarbamate

C14H22N2O2 — CID 174655592

IUPAC2-(tert-butylamino)ethyl N-methyl-N-phenylcarbamate
SMILESCN(C(=O)OCCNC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)15-10-11-18-13(17)16(4)12-8-6-5-7-9-12/h5-9,15H,10-11H2,1-4H3
InChIKeyFZUMYFUUCYUJHT-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.65
Rot. Bonds4

About 2-(tert-butylamino)ethyl N-methyl-N-phenylcarbamate

2-(tert-butylamino)ethyl N-methyl-N-phenylcarbamate (PubChem CID 174655592) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(tert-butylamino)ethyl N-methyl-N-phenylcarbamate.

Molecular Properties

Compound Name2-(tert-butylamino)ethyl N-methyl-N-phenylcarbamate
PubChem CID174655592
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(tert-butylamino)ethyl N-methyl-N-phenylcarbamate
SMILESCN(C(=O)OCCNC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)15-10-11-18-13(17)16(4)12-8-6-5-7-9-12/h5-9,15H,10-11H2,1-4H3
InChIKeyFZUMYFUUCYUJHT-UHFFFAOYSA-N
XLogP2.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyethyl N-methyl-N-phenylcarbamate
CID 79346039
acetamido N-methyl-N-phenylcarbamate
CID 155295151
N-tert-butyl-N'-methyl-N'-phenylethane-1,2-diamine
CID 54807376
3-(tert-butylamino)-N-[2-(N-methylanilino)ethyl]propanamide
CID 61260104
2-[2-(tert-butylamino)ethoxy]benzoic acid
CID 103235164
N,4,4-trimethyl-3-oxo-N-phenylpentanamide
CID 134872382
methyl 2-[2-(tert-butylamino)ethylamino]-2-phenylacetate
CID 107445566
tert-butyl N-methyl-N-phenylcarbamate;chloro(diethyl)alumane
CID 174369675
2-(tert-butylamino)ethyl pyridine-4-carboxylate
CID 130375151
2-[2-(tert-butylamino)ethoxy]ethyl (E)-3-phenylprop-2-enoate
CID 163977114
3-amino-N-methyl-N-phenyl-3-sulfanylidenepropanamide
CID 28942333
propyl N-(3-chlorophenyl)-N-methylcarbamate
CID 174449903

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)ethyl N-methyl-N-phenylcarbamate?
The IUPAC name of 2-(tert-butylamino)ethyl N-methyl-N-phenylcarbamate (CID 174655592) is 2-(tert-butylamino)ethyl N-methyl-N-phenylcarbamate.
What is the SMILES notation for 2-(tert-butylamino)ethyl N-methyl-N-phenylcarbamate?
The canonical SMILES for 2-(tert-butylamino)ethyl N-methyl-N-phenylcarbamate is CN(C(=O)OCCNC(C)(C)C)c1ccccc1.
What is the InChIKey of 2-(tert-butylamino)ethyl N-methyl-N-phenylcarbamate?
The InChIKey is FZUMYFUUCYUJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)15-10-11-18-13(17)16(4)12-8-6-5-7-9-12/h5-9,15H,10-11H2,1-4H3.
What are the key properties of 2-(tert-butylamino)ethyl N-methyl-N-phenylcarbamate?
2-(tert-butylamino)ethyl N-methyl-N-phenylcarbamate has a molecular weight of 250.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)ethyl N-methyl-N-phenylcarbamate is sourced from PubChem (CID 174655592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).