tert-butyl N-[5-methoxy-4-(pent-4-en-2-ylamino)pentyl]carbamate

C16H32N2O3 — CID 103390958

IUPACtert-butyl N-[5-methoxy-4-(pent-4-en-2-ylamino)pentyl]carbamate
SMILESC=CCC(C)NC(CCCNC(=O)OC(C)(C)C)COC
InChIInChI=1S/C16H32N2O3/c1-7-9-13(2)18-14(12-20-6)10-8-11-17-15(19)21-16(3,4)5/h7,13-14,18H,1,8-12H2,2-6H3,(H,17,19)
InChIKeyLHRSBWCDIMLUNS-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.86
Rot. Bonds10

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

tert-butyl N-[5-methoxy-4-(pent-4-en-2-ylamino)pentyl]carbamate (PubChem CID 103390958) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is tert-butyl N-[5-methoxy-4-(pent-4-en-2-ylamino)pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-methoxy-4-(pent-4-en-2-ylamino)pentyl]carbamate
PubChem CID103390958
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nametert-butyl N-[5-methoxy-4-(pent-4-en-2-ylamino)pentyl]carbamate
SMILESC=CCC(C)NC(CCCNC(=O)OC(C)(C)C)COC
InChIInChI=1S/C16H32N2O3/c1-7-9-13(2)18-14(12-20-6)10-8-11-17-15(19)21-16(3,4)5/h7,13-14,18H,1,8-12H2,2-6H3,(H,17,19)
InChIKeyLHRSBWCDIMLUNS-UHFFFAOYSA-N
XLogP2.86
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-methoxy-4-(pent-4-en-2-ylamino)pentyl]carbamate?
The IUPAC name of tert-butyl N-[5-methoxy-4-(pent-4-en-2-ylamino)pentyl]carbamate (CID 103390958) is tert-butyl N-[5-methoxy-4-(pent-4-en-2-ylamino)pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-methoxy-4-(pent-4-en-2-ylamino)pentyl]carbamate?
The canonical SMILES for tert-butyl N-[5-methoxy-4-(pent-4-en-2-ylamino)pentyl]carbamate is C=CCC(C)NC(CCCNC(=O)OC(C)(C)C)COC.
What is the InChIKey of tert-butyl N-[5-methoxy-4-(pent-4-en-2-ylamino)pentyl]carbamate?
The InChIKey is LHRSBWCDIMLUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-7-9-13(2)18-14(12-20-6)10-8-11-17-15(19)21-16(3,4)5/h7,13-14,18H,1,8-12H2,2-6H3,(H,17,19).
What are the key properties of tert-butyl N-[5-methoxy-4-(pent-4-en-2-ylamino)pentyl]carbamate?
tert-butyl N-[5-methoxy-4-(pent-4-en-2-ylamino)pentyl]carbamate has a molecular weight of 300.44 g/mol, XLogP of 2.86, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-methoxy-4-(pent-4-en-2-ylamino)pentyl]carbamate is sourced from PubChem (CID 103390958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).