tert-butyl N-[5-methoxy-4-(1-methoxypropan-2-ylamino)pentyl]carbamate

C15H32N2O4 — CID 103387051

IUPACtert-butyl N-[5-methoxy-4-(1-methoxypropan-2-ylamino)pentyl]carbamate
SMILESCOCC(C)NC(CCCNC(=O)OC(C)(C)C)COC
InChIInChI=1S/C15H32N2O4/c1-12(10-19-5)17-13(11-20-6)8-7-9-16-14(18)21-15(2,3)4/h12-13,17H,7-11H2,1-6H3,(H,16,18)
InChIKeyQSLXQOSPDXGZPN-UHFFFAOYSA-N
MW304.43 g/mol
LogP1.93
Rot. Bonds10

About tert-butyl N-[5-methoxy-4-(1-methoxypropan-2-ylamino)pentyl]carbamate

tert-butyl N-[5-methoxy-4-(1-methoxypropan-2-ylamino)pentyl]carbamate (PubChem CID 103387051) has the molecular formula C15H32N2O4 and a molecular weight of 304.43 g/mol. Its IUPAC name is tert-butyl N-[5-methoxy-4-(1-methoxypropan-2-ylamino)pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-methoxy-4-(1-methoxypropan-2-ylamino)pentyl]carbamate
PubChem CID103387051
Molecular FormulaC15H32N2O4
Molecular Weight304.43 g/mol
Exact Mass304.24
IUPAC Nametert-butyl N-[5-methoxy-4-(1-methoxypropan-2-ylamino)pentyl]carbamate
SMILESCOCC(C)NC(CCCNC(=O)OC(C)(C)C)COC
InChIInChI=1S/C15H32N2O4/c1-12(10-19-5)17-13(11-20-6)8-7-9-16-14(18)21-15(2,3)4/h12-13,17H,7-11H2,1-6H3,(H,16,18)
InChIKeyQSLXQOSPDXGZPN-UHFFFAOYSA-N
XLogP1.93
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-methoxy-4-(1-methoxypropan-2-ylamino)pentyl]carbamate?
The IUPAC name of tert-butyl N-[5-methoxy-4-(1-methoxypropan-2-ylamino)pentyl]carbamate (CID 103387051) is tert-butyl N-[5-methoxy-4-(1-methoxypropan-2-ylamino)pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-methoxy-4-(1-methoxypropan-2-ylamino)pentyl]carbamate?
The canonical SMILES for tert-butyl N-[5-methoxy-4-(1-methoxypropan-2-ylamino)pentyl]carbamate is COCC(C)NC(CCCNC(=O)OC(C)(C)C)COC.
What is the InChIKey of tert-butyl N-[5-methoxy-4-(1-methoxypropan-2-ylamino)pentyl]carbamate?
The InChIKey is QSLXQOSPDXGZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O4/c1-12(10-19-5)17-13(11-20-6)8-7-9-16-14(18)21-15(2,3)4/h12-13,17H,7-11H2,1-6H3,(H,16,18).
What are the key properties of tert-butyl N-[5-methoxy-4-(1-methoxypropan-2-ylamino)pentyl]carbamate?
tert-butyl N-[5-methoxy-4-(1-methoxypropan-2-ylamino)pentyl]carbamate has a molecular weight of 304.43 g/mol, XLogP of 1.93, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-methoxy-4-(1-methoxypropan-2-ylamino)pentyl]carbamate is sourced from PubChem (CID 103387051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).