tert-butyl N-cyclopropyl-N-[2-[(2-ethyloxan-4-yl)amino]ethyl]carbamate

C17H32N2O3 — CID 107246501

IUPACtert-butyl N-cyclopropyl-N-[2-[(2-ethyloxan-4-yl)amino]ethyl]carbamate
SMILESCCC1CC(NCCN(C(=O)OC(C)(C)C)C2CC2)CCO1
InChIInChI=1S/C17H32N2O3/c1-5-15-12-13(8-11-21-15)18-9-10-19(14-6-7-14)16(20)22-17(2,3)4/h13-15,18H,5-12H2,1-4H3
InChIKeyZSXVKGVFOCCDLP-UHFFFAOYSA-N
MW312.45 g/mol
LogP2.93
Rot. Bonds6

About tert-butyl N-cyclopropyl-N-[2-[(2-ethyloxan-4-yl)amino]ethyl]carbamate

tert-butyl N-cyclopropyl-N-[2-[(2-ethyloxan-4-yl)amino]ethyl]carbamate (PubChem CID 107246501) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is tert-butyl N-cyclopropyl-N-[2-[(2-ethyloxan-4-yl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopropyl-N-[2-[(2-ethyloxan-4-yl)amino]ethyl]carbamate
PubChem CID107246501
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Nametert-butyl N-cyclopropyl-N-[2-[(2-ethyloxan-4-yl)amino]ethyl]carbamate
SMILESCCC1CC(NCCN(C(=O)OC(C)(C)C)C2CC2)CCO1
InChIInChI=1S/C17H32N2O3/c1-5-15-12-13(8-11-21-15)18-9-10-19(14-6-7-14)16(20)22-17(2,3)4/h13-15,18H,5-12H2,1-4H3
InChIKeyZSXVKGVFOCCDLP-UHFFFAOYSA-N
XLogP2.93
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-methyl-N-[2-[(2-propyloxan-4-yl)amino]ethyl]carbamate
CID 103991105
tert-butyl N-cyclopropyl-N-[2-(oxepan-4-ylamino)ethyl]carbamate
CID 103894802
tert-butyl N-cyclopropyl-N-[2-[(3-methoxycyclobutyl)amino]ethyl]carbamate
CID 104871326
tert-butyl N-[4-[(2-ethyloxan-4-yl)amino]butan-2-yl]carbamate
CID 107247104
tert-butyl N-methyl-N-[2-[(2-methyloxan-4-yl)amino]ethyl]carbamate
CID 103910604
tert-butyl N-[2-methyl-1-[(2-propyloxan-4-yl)amino]propan-2-yl]carbamate
CID 103991365
tert-butyl 3-[[(2-ethyloxan-4-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 107242518
2-[2-[(2-ethyloxan-4-yl)amino]ethoxy]acetamide
CID 106236551
tert-butyl N-[2-(oxan-4-ylamino)ethyl]-N-propylcarbamate
CID 103846759
tert-butyl N-butyl-N-cyclopropylcarbamate
CID 63788161
tert-butyl N-cyclopropyl-N-[3-[(4-methoxycyclohexyl)amino]propyl]carbamate
CID 104530154
tert-butyl N-cyclopropyl-N-[2-[(2-methylthiolan-3-yl)amino]ethyl]carbamate
CID 102672001

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopropyl-N-[2-[(2-ethyloxan-4-yl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-cyclopropyl-N-[2-[(2-ethyloxan-4-yl)amino]ethyl]carbamate (CID 107246501) is tert-butyl N-cyclopropyl-N-[2-[(2-ethyloxan-4-yl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-cyclopropyl-N-[2-[(2-ethyloxan-4-yl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-cyclopropyl-N-[2-[(2-ethyloxan-4-yl)amino]ethyl]carbamate is CCC1CC(NCCN(C(=O)OC(C)(C)C)C2CC2)CCO1.
What is the InChIKey of tert-butyl N-cyclopropyl-N-[2-[(2-ethyloxan-4-yl)amino]ethyl]carbamate?
The InChIKey is ZSXVKGVFOCCDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-5-15-12-13(8-11-21-15)18-9-10-19(14-6-7-14)16(20)22-17(2,3)4/h13-15,18H,5-12H2,1-4H3.
What are the key properties of tert-butyl N-cyclopropyl-N-[2-[(2-ethyloxan-4-yl)amino]ethyl]carbamate?
tert-butyl N-cyclopropyl-N-[2-[(2-ethyloxan-4-yl)amino]ethyl]carbamate has a molecular weight of 312.45 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopropyl-N-[2-[(2-ethyloxan-4-yl)amino]ethyl]carbamate is sourced from PubChem (CID 107246501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).