2-amino-N-[1-(2,7-dimethylcyclohepta-1,3,6-trien-1-yl)oxypropan-2-yl]propanamide

C15H24N2O2 — CID 90816529

IUPAC2-amino-N-[1-(2,7-dimethylcyclohepta-1,3,6-trien-1-yl)oxypropan-2-yl]propanamide
SMILESCC1=CCC=CC(C)=C1OCC(C)NC(=O)C(C)N
InChIInChI=1S/C15H24N2O2/c1-10-7-5-6-8-11(2)14(10)19-9-12(3)17-15(18)13(4)16/h5,7-8,12-13H,6,9,16H2,1-4H3,(H,17,18)
InChIKeyQPENMQDRDBUCKJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.04
Rot. Bonds5

About 2-amino-N-[1-(2,7-dimethylcyclohepta-1,3,6-trien-1-yl)oxypropan-2-yl]propanamide

2-amino-N-[1-(2,7-dimethylcyclohepta-1,3,6-trien-1-yl)oxypropan-2-yl]propanamide (PubChem CID 90816529) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-amino-N-[1-(2,7-dimethylcyclohepta-1,3,6-trien-1-yl)oxypropan-2-yl]propanamide.

Molecular Properties

Compound Name2-amino-N-[1-(2,7-dimethylcyclohepta-1,3,6-trien-1-yl)oxypropan-2-yl]propanamide
PubChem CID90816529
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-amino-N-[1-(2,7-dimethylcyclohepta-1,3,6-trien-1-yl)oxypropan-2-yl]propanamide
SMILESCC1=CCC=CC(C)=C1OCC(C)NC(=O)C(C)N
InChIInChI=1S/C15H24N2O2/c1-10-7-5-6-8-11(2)14(10)19-9-12(3)17-15(18)13(4)16/h5,7-8,12-13H,6,9,16H2,1-4H3,(H,17,18)
InChIKeyQPENMQDRDBUCKJ-UHFFFAOYSA-N
XLogP2.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2,7-dimethylcyclohepta-1,3,6-trien-1-yl)oxypropan-2-yl]propanamide?
The IUPAC name of 2-amino-N-[1-(2,7-dimethylcyclohepta-1,3,6-trien-1-yl)oxypropan-2-yl]propanamide (CID 90816529) is 2-amino-N-[1-(2,7-dimethylcyclohepta-1,3,6-trien-1-yl)oxypropan-2-yl]propanamide.
What is the SMILES notation for 2-amino-N-[1-(2,7-dimethylcyclohepta-1,3,6-trien-1-yl)oxypropan-2-yl]propanamide?
The canonical SMILES for 2-amino-N-[1-(2,7-dimethylcyclohepta-1,3,6-trien-1-yl)oxypropan-2-yl]propanamide is CC1=CCC=CC(C)=C1OCC(C)NC(=O)C(C)N.
What is the InChIKey of 2-amino-N-[1-(2,7-dimethylcyclohepta-1,3,6-trien-1-yl)oxypropan-2-yl]propanamide?
The InChIKey is QPENMQDRDBUCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10-7-5-6-8-11(2)14(10)19-9-12(3)17-15(18)13(4)16/h5,7-8,12-13H,6,9,16H2,1-4H3,(H,17,18).
What are the key properties of 2-amino-N-[1-(2,7-dimethylcyclohepta-1,3,6-trien-1-yl)oxypropan-2-yl]propanamide?
2-amino-N-[1-(2,7-dimethylcyclohepta-1,3,6-trien-1-yl)oxypropan-2-yl]propanamide has a molecular weight of 264.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2,7-dimethylcyclohepta-1,3,6-trien-1-yl)oxypropan-2-yl]propanamide is sourced from PubChem (CID 90816529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).