tert-butyl N-methyl-N-[2-[(2-propyloxan-4-yl)amino]ethyl]carbamate

C16H32N2O3 — CID 103991105

IUPACtert-butyl N-methyl-N-[2-[(2-propyloxan-4-yl)amino]ethyl]carbamate
SMILESCCCC1CC(NCCN(C)C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C16H32N2O3/c1-6-7-14-12-13(8-11-20-14)17-9-10-18(5)15(19)21-16(2,3)4/h13-14,17H,6-12H2,1-5H3
InChIKeyRXMRQRLMNSVIBN-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.79
Rot. Bonds6

About tert-butyl N-methyl-N-[2-[(2-propyloxan-4-yl)amino]ethyl]carbamate

tert-butyl N-methyl-N-[2-[(2-propyloxan-4-yl)amino]ethyl]carbamate (PubChem CID 103991105) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-[(2-propyloxan-4-yl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-[(2-propyloxan-4-yl)amino]ethyl]carbamate
PubChem CID103991105
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nametert-butyl N-methyl-N-[2-[(2-propyloxan-4-yl)amino]ethyl]carbamate
SMILESCCCC1CC(NCCN(C)C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C16H32N2O3/c1-6-7-14-12-13(8-11-20-14)17-9-10-18(5)15(19)21-16(2,3)4/h13-14,17H,6-12H2,1-5H3
InChIKeyRXMRQRLMNSVIBN-UHFFFAOYSA-N
XLogP2.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-methyl-N-[2-[(2-methyloxan-4-yl)amino]ethyl]carbamate
CID 103910604
tert-butyl N-cyclopropyl-N-[2-[(2-ethyloxan-4-yl)amino]ethyl]carbamate
CID 107246501
tert-butyl N-methyl-N-[2-[(3-methylcyclopentyl)amino]ethyl]carbamate
CID 103698942
tert-butyl N-[2-methyl-1-[(2-propyloxan-4-yl)amino]propan-2-yl]carbamate
CID 103991365
tert-butyl N-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate
CID 103698952
tert-butyl N-[2-[(2-ethyl-2-methyloxan-4-yl)amino]ethyl]-N-methylcarbamate
CID 107244992
tert-butyl N-[1-[(2-propyloxan-4-yl)amino]propan-2-yl]carbamate
CID 107248027
tert-butyl N-[2-[(3-ethoxycyclobutyl)amino]ethyl]-N-methylcarbamate
CID 103921208
tert-butyl N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]-N-methylcarbamate
CID 103698950
tert-butyl N-methyl-N-[3-[(3-methylcyclopentyl)amino]propyl]carbamate
CID 103699060
tert-butyl N-methyl-N-[2-(pyrrolidin-3-ylamino)ethyl]carbamate
CID 107245215
tert-butyl N-[2-(oxan-4-ylamino)ethyl]-N-propylcarbamate
CID 103846759

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-[(2-propyloxan-4-yl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-[(2-propyloxan-4-yl)amino]ethyl]carbamate (CID 103991105) is tert-butyl N-methyl-N-[2-[(2-propyloxan-4-yl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-[(2-propyloxan-4-yl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-[(2-propyloxan-4-yl)amino]ethyl]carbamate is CCCC1CC(NCCN(C)C(=O)OC(C)(C)C)CCO1.
What is the InChIKey of tert-butyl N-methyl-N-[2-[(2-propyloxan-4-yl)amino]ethyl]carbamate?
The InChIKey is RXMRQRLMNSVIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-6-7-14-12-13(8-11-20-14)17-9-10-18(5)15(19)21-16(2,3)4/h13-14,17H,6-12H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[2-[(2-propyloxan-4-yl)amino]ethyl]carbamate?
tert-butyl N-methyl-N-[2-[(2-propyloxan-4-yl)amino]ethyl]carbamate has a molecular weight of 300.44 g/mol, XLogP of 2.79, 6 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-[(2-propyloxan-4-yl)amino]ethyl]carbamate is sourced from PubChem (CID 103991105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).