tert-butyl N-[3-[methyl(oxan-4-ylmethyl)amino]-3-oxopropyl]carbamate

C15H28N2O4 — CID 63706668

IUPACtert-butyl N-[3-[methyl(oxan-4-ylmethyl)amino]-3-oxopropyl]carbamate
SMILESCN(CC1CCOCC1)C(=O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O4/c1-15(2,3)21-14(19)16-8-5-13(18)17(4)11-12-6-9-20-10-7-12/h12H,5-11H2,1-4H3,(H,16,19)
InChIKeyRHVPUUGCUKRTIM-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.79
Rot. Bonds5

About tert-butyl N-[3-[methyl(oxan-4-ylmethyl)amino]-3-oxopropyl]carbamate

tert-butyl N-[3-[methyl(oxan-4-ylmethyl)amino]-3-oxopropyl]carbamate (PubChem CID 63706668) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is tert-butyl N-[3-[methyl(oxan-4-ylmethyl)amino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[methyl(oxan-4-ylmethyl)amino]-3-oxopropyl]carbamate
PubChem CID63706668
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Nametert-butyl N-[3-[methyl(oxan-4-ylmethyl)amino]-3-oxopropyl]carbamate
SMILESCN(CC1CCOCC1)C(=O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O4/c1-15(2,3)21-14(19)16-8-5-13(18)17(4)11-12-6-9-20-10-7-12/h12H,5-11H2,1-4H3,(H,16,19)
InChIKeyRHVPUUGCUKRTIM-UHFFFAOYSA-N
XLogP1.79
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-aminoethoxy)-N-methyl-N-(oxan-4-ylmethyl)propanamide
CID 112739036
tert-butyl N-[3-[[(2S)-2-cyanopropyl]-methylamino]-3-oxopropyl]carbamate
CID 94671243
tert-butyl N-[2-(oxan-4-ylamino)ethyl]carbamate
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tert-butyl N-[2-(oxolan-3-ylmethylamino)ethyl]carbamate
CID 115607413
tert-butyl N-[(E)-4-(oxan-4-ylmethylamino)but-2-enyl]carbamate
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1-methyl-1-(oxan-4-ylmethyl)-3-propylurea
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tert-butyl N-[2-(oxan-4-yl)-2-oxoethyl]carbamate
CID 75406583
2-amino-N-[2-[methyl(oxan-4-ylmethyl)amino]-2-oxoethyl]acetamide
CID 63707976
5-amino-N-methyl-N-(oxan-4-ylmethyl)hexanamide
CID 82852241
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(oxan-4-ylmethyl)pentanoic acid
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tert-butyl N-[2-cyclopropyl-2-(oxan-4-ylmethylamino)ethyl]carbamate
CID 103745471
tert-butyl N-(oxan-3-ylmethyl)carbamate
CID 63788882

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[methyl(oxan-4-ylmethyl)amino]-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[methyl(oxan-4-ylmethyl)amino]-3-oxopropyl]carbamate (CID 63706668) is tert-butyl N-[3-[methyl(oxan-4-ylmethyl)amino]-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[methyl(oxan-4-ylmethyl)amino]-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[methyl(oxan-4-ylmethyl)amino]-3-oxopropyl]carbamate is CN(CC1CCOCC1)C(=O)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[methyl(oxan-4-ylmethyl)amino]-3-oxopropyl]carbamate?
The InChIKey is RHVPUUGCUKRTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-15(2,3)21-14(19)16-8-5-13(18)17(4)11-12-6-9-20-10-7-12/h12H,5-11H2,1-4H3,(H,16,19).
What are the key properties of tert-butyl N-[3-[methyl(oxan-4-ylmethyl)amino]-3-oxopropyl]carbamate?
tert-butyl N-[3-[methyl(oxan-4-ylmethyl)amino]-3-oxopropyl]carbamate has a molecular weight of 300.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[methyl(oxan-4-ylmethyl)amino]-3-oxopropyl]carbamate is sourced from PubChem (CID 63706668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).