heptyl 2-[methyl(2-methylpropanoyl)amino]acetate

C14H27NO3 — CID 91692178

IUPACheptyl 2-[methyl(2-methylpropanoyl)amino]acetate
SMILESCCCCCCCOC(=O)CN(C)C(=O)C(C)C
InChIInChI=1S/C14H27NO3/c1-5-6-7-8-9-10-18-13(16)11-15(4)14(17)12(2)3/h12H,5-11H2,1-4H3
InChIKeyAXTPOGGJCSJQTI-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.61
Rot. Bonds9

About heptyl 2-[methyl(2-methylpropanoyl)amino]acetate

heptyl 2-[methyl(2-methylpropanoyl)amino]acetate (PubChem CID 91692178) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is heptyl 2-[methyl(2-methylpropanoyl)amino]acetate.

Molecular Properties

Compound Nameheptyl 2-[methyl(2-methylpropanoyl)amino]acetate
PubChem CID91692178
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nameheptyl 2-[methyl(2-methylpropanoyl)amino]acetate
SMILESCCCCCCCOC(=O)CN(C)C(=O)C(C)C
InChIInChI=1S/C14H27NO3/c1-5-6-7-8-9-10-18-13(16)11-15(4)14(17)12(2)3/h12H,5-11H2,1-4H3
InChIKeyAXTPOGGJCSJQTI-UHFFFAOYSA-N
XLogP2.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Acetic acid, (diethylamino)oxo-, heptyl ester
CID 3042717
Acetic acid, (diethylamino)oxo-, octyl ester
CID 3042718
Acetic acid, (diethylamino)oxo-, nonyl ester
CID 3042719
Sarcosine, n-pentafluoropropionyl-, heptyl ester
CID 91730488
Sarcosine, n-pentafluoropropionyl-, dodecyl ester
CID 91730566
Sarcosine, n-heptafluorobutyryl-, heptyl ester
CID 91737551
Sarcosine, N-isobutyryl-, ethyl ester
CID 61597567
Sarcosine, N-isobutyryl-, isobutyl ester
CID 91692123
Sarcosine, N-isobutyryl-, propyl ester
CID 91692126
Sarcosine, N-isobutyryl-, pentadecyl ester
CID 91692179
Sarcosine, N-isobutyryl-, butyl ester
CID 91692180
Sarcosine, N-isobutyryl-, tetradecyl ester
CID 91692181

Frequently Asked Questions

What is the IUPAC name of heptyl 2-[methyl(2-methylpropanoyl)amino]acetate?
The IUPAC name of heptyl 2-[methyl(2-methylpropanoyl)amino]acetate (CID 91692178) is heptyl 2-[methyl(2-methylpropanoyl)amino]acetate.
What is the SMILES notation for heptyl 2-[methyl(2-methylpropanoyl)amino]acetate?
The canonical SMILES for heptyl 2-[methyl(2-methylpropanoyl)amino]acetate is CCCCCCCOC(=O)CN(C)C(=O)C(C)C.
What is the InChIKey of heptyl 2-[methyl(2-methylpropanoyl)amino]acetate?
The InChIKey is AXTPOGGJCSJQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-5-6-7-8-9-10-18-13(16)11-15(4)14(17)12(2)3/h12H,5-11H2,1-4H3.
What are the key properties of heptyl 2-[methyl(2-methylpropanoyl)amino]acetate?
heptyl 2-[methyl(2-methylpropanoyl)amino]acetate has a molecular weight of 257.37 g/mol, XLogP of 2.61, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for heptyl 2-[methyl(2-methylpropanoyl)amino]acetate is sourced from PubChem (CID 91692178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).