tert-butyl N-[4-(1-morpholin-3-ylpropan-2-ylamino)butan-2-yl]carbamate

C16H33N3O3 — CID 107246908

IUPACtert-butyl N-[4-(1-morpholin-3-ylpropan-2-ylamino)butan-2-yl]carbamate
SMILESCC(CC1COCCN1)NCCC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H33N3O3/c1-12(19-15(20)22-16(3,4)5)6-7-17-13(2)10-14-11-21-9-8-18-14/h12-14,17-18H,6-11H2,1-5H3,(H,19,20)
InChIKeyPPUURTXVBGDPPM-UHFFFAOYSA-N
MW315.46 g/mol
LogP1.65
Rot. Bonds7

About tert-butyl N-[4-(1-morpholin-3-ylpropan-2-ylamino)butan-2-yl]carbamate

tert-butyl N-[4-(1-morpholin-3-ylpropan-2-ylamino)butan-2-yl]carbamate (PubChem CID 107246908) has the molecular formula C16H33N3O3 and a molecular weight of 315.46 g/mol. Its IUPAC name is tert-butyl N-[4-(1-morpholin-3-ylpropan-2-ylamino)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(1-morpholin-3-ylpropan-2-ylamino)butan-2-yl]carbamate
PubChem CID107246908
Molecular FormulaC16H33N3O3
Molecular Weight315.46 g/mol
Exact Mass315.25
IUPAC Nametert-butyl N-[4-(1-morpholin-3-ylpropan-2-ylamino)butan-2-yl]carbamate
SMILESCC(CC1COCCN1)NCCC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H33N3O3/c1-12(19-15(20)22-16(3,4)5)6-7-17-13(2)10-14-11-21-9-8-18-14/h12-14,17-18H,6-11H2,1-5H3,(H,19,20)
InChIKeyPPUURTXVBGDPPM-UHFFFAOYSA-N
XLogP1.65
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(1-morpholin-3-ylpropan-2-ylamino)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(1-morpholin-3-ylpropan-2-ylamino)butan-2-yl]carbamate (CID 107246908) is tert-butyl N-[4-(1-morpholin-3-ylpropan-2-ylamino)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(1-morpholin-3-ylpropan-2-ylamino)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(1-morpholin-3-ylpropan-2-ylamino)butan-2-yl]carbamate is CC(CC1COCCN1)NCCC(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-(1-morpholin-3-ylpropan-2-ylamino)butan-2-yl]carbamate?
The InChIKey is PPUURTXVBGDPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O3/c1-12(19-15(20)22-16(3,4)5)6-7-17-13(2)10-14-11-21-9-8-18-14/h12-14,17-18H,6-11H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl N-[4-(1-morpholin-3-ylpropan-2-ylamino)butan-2-yl]carbamate?
tert-butyl N-[4-(1-morpholin-3-ylpropan-2-ylamino)butan-2-yl]carbamate has a molecular weight of 315.46 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(1-morpholin-3-ylpropan-2-ylamino)butan-2-yl]carbamate is sourced from PubChem (CID 107246908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).