propyl 7-formamidoheptanoate

C11H21NO3 — CID 54319658

IUPACpropyl 7-formamidoheptanoate
SMILESCCCOC(=O)CCCCCCNC=O
InChIInChI=1S/C11H21NO3/c1-2-9-15-11(14)7-5-3-4-6-8-12-10-13/h10H,2-9H2,1H3,(H,12,13)
InChIKeyFCDYMRJDQUTYJQ-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.64
Rot. Bonds10

About propyl 7-formamidoheptanoate

propyl 7-formamidoheptanoate (PubChem CID 54319658) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is propyl 7-formamidoheptanoate.

Molecular Properties

Compound Namepropyl 7-formamidoheptanoate
PubChem CID54319658
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namepropyl 7-formamidoheptanoate
SMILESCCCOC(=O)CCCCCCNC=O
InChIInChI=1S/C11H21NO3/c1-2-9-15-11(14)7-5-3-4-6-8-12-10-13/h10H,2-9H2,1H3,(H,12,13)
InChIKeyFCDYMRJDQUTYJQ-UHFFFAOYSA-N
XLogP1.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propyl docosanoate
CID 3015299
prop-2-enyl 6-formamidohexanoate
CID 12006461
dodecyl tridecanoate;N-octyloctan-1-amine
CID 88604290
2-(2-nonanoyloxyethylamino)ethyl nonanoate
CID 101278322
1-O-propyl 10-O-tetradecyl decanedioate
CID 91736271
butyl 6-(propoxycarbonylamino)hexanoate
CID 91709696
butyl 6-(methylamino)hexanoate
CID 14437323
propyl 3-[3-[(3-oxo-3-propoxypropyl)amino]propylamino]propanoate
CID 58040601
ethane-1,2-diol;propyl octadecanoate
CID 87479973
2-(ethylamino)ethyl tetradecanoate
CID 22321443
propyl (E)-octadec-9-enoate
CID 5463340
5-(2-formamidoethoxy)-5-oxopentanoic acid
CID 88935057

Frequently Asked Questions

What is the IUPAC name of propyl 7-formamidoheptanoate?
The IUPAC name of propyl 7-formamidoheptanoate (CID 54319658) is propyl 7-formamidoheptanoate.
What is the SMILES notation for propyl 7-formamidoheptanoate?
The canonical SMILES for propyl 7-formamidoheptanoate is CCCOC(=O)CCCCCCNC=O.
What is the InChIKey of propyl 7-formamidoheptanoate?
The InChIKey is FCDYMRJDQUTYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-9-15-11(14)7-5-3-4-6-8-12-10-13/h10H,2-9H2,1H3,(H,12,13).
What are the key properties of propyl 7-formamidoheptanoate?
propyl 7-formamidoheptanoate has a molecular weight of 215.29 g/mol, XLogP of 1.64, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 7-formamidoheptanoate is sourced from PubChem (CID 54319658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).