tert-butyl N-methyl-N-[[2-(oxolan-3-ylamino)phenyl]methyl]carbamate

C17H26N2O3 — CID 103892825

IUPACtert-butyl N-methyl-N-[[2-(oxolan-3-ylamino)phenyl]methyl]carbamate
SMILESCN(Cc1ccccc1NC1CCOC1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19(4)11-13-7-5-6-8-15(13)18-14-9-10-21-12-14/h5-8,14,18H,9-12H2,1-4H3
InChIKeyPARVPHAEVWWVON-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.25
Rot. Bonds4

About tert-butyl N-methyl-N-[[2-(oxolan-3-ylamino)phenyl]methyl]carbamate

tert-butyl N-methyl-N-[[2-(oxolan-3-ylamino)phenyl]methyl]carbamate (PubChem CID 103892825) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[[2-(oxolan-3-ylamino)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[[2-(oxolan-3-ylamino)phenyl]methyl]carbamate
PubChem CID103892825
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl N-methyl-N-[[2-(oxolan-3-ylamino)phenyl]methyl]carbamate
SMILESCN(Cc1ccccc1NC1CCOC1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19(4)11-13-7-5-6-8-15(13)18-14-9-10-21-12-14/h5-8,14,18H,9-12H2,1-4H3
InChIKeyPARVPHAEVWWVON-UHFFFAOYSA-N
XLogP3.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylaminomethyl)phenyl]oxolan-3-amine
CID 63335462
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tert-butyl N-[[2-(2-ethylbutylamino)phenyl]methyl]-N-methylcarbamate
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tert-butyl N-[[2-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methyl]-N-methylcarbamate
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tert-butyl N-methyl-N-[[2-(4-methylpentanoylamino)phenyl]methyl]carbamate
CID 60595393
tert-butyl N-[[2-(3-methoxybutan-2-ylamino)phenyl]methyl]-N-methylcarbamate
CID 103936279
tert-butyl N-[[2-(2,4-dimethylpentylamino)phenyl]methyl]-N-methylcarbamate
CID 114200705
tert-butyl N-methyl-N-[[2-(1,3-thiazol-5-ylmethylamino)phenyl]methyl]carbamate
CID 103818744
N-[[2-(cycloheptylamino)phenyl]methyl]-N-methylacetamide
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N-[[2-[(4-hydroxycyclohexyl)amino]phenyl]methyl]-N-methylacetamide
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CID 107247266

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[[2-(oxolan-3-ylamino)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[[2-(oxolan-3-ylamino)phenyl]methyl]carbamate (CID 103892825) is tert-butyl N-methyl-N-[[2-(oxolan-3-ylamino)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[[2-(oxolan-3-ylamino)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[[2-(oxolan-3-ylamino)phenyl]methyl]carbamate is CN(Cc1ccccc1NC1CCOC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[[2-(oxolan-3-ylamino)phenyl]methyl]carbamate?
The InChIKey is PARVPHAEVWWVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19(4)11-13-7-5-6-8-15(13)18-14-9-10-21-12-14/h5-8,14,18H,9-12H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-[[2-(oxolan-3-ylamino)phenyl]methyl]carbamate?
tert-butyl N-methyl-N-[[2-(oxolan-3-ylamino)phenyl]methyl]carbamate has a molecular weight of 306.41 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[[2-(oxolan-3-ylamino)phenyl]methyl]carbamate is sourced from PubChem (CID 103892825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).