6-methylheptan-2-yl 2-(benzylamino)acetate

C17H27NO2 — CID 170788040

IUPAC6-methylheptan-2-yl 2-(benzylamino)acetate
SMILESCC(C)CCCC(C)OC(=O)CNCc1ccccc1
InChIInChI=1S/C17H27NO2/c1-14(2)8-7-9-15(3)20-17(19)13-18-12-16-10-5-4-6-11-16/h4-6,10-11,14-15,18H,7-9,12-13H2,1-3H3
InChIKeySLYMFCJYFGEQPM-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.53
Rot. Bonds9

About 6-methylheptan-2-yl 2-(benzylamino)acetate

6-methylheptan-2-yl 2-(benzylamino)acetate (PubChem CID 170788040) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 6-methylheptan-2-yl 2-(benzylamino)acetate.

Molecular Properties

Compound Name6-methylheptan-2-yl 2-(benzylamino)acetate
PubChem CID170788040
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name6-methylheptan-2-yl 2-(benzylamino)acetate
SMILESCC(C)CCCC(C)OC(=O)CNCc1ccccc1
InChIInChI=1S/C17H27NO2/c1-14(2)8-7-9-15(3)20-17(19)13-18-12-16-10-5-4-6-11-16/h4-6,10-11,14-15,18H,7-9,12-13H2,1-3H3
InChIKeySLYMFCJYFGEQPM-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methylheptan-2-yl 2-(benzylamino)acetate?
The IUPAC name of 6-methylheptan-2-yl 2-(benzylamino)acetate (CID 170788040) is 6-methylheptan-2-yl 2-(benzylamino)acetate.
What is the SMILES notation for 6-methylheptan-2-yl 2-(benzylamino)acetate?
The canonical SMILES for 6-methylheptan-2-yl 2-(benzylamino)acetate is CC(C)CCCC(C)OC(=O)CNCc1ccccc1.
What is the InChIKey of 6-methylheptan-2-yl 2-(benzylamino)acetate?
The InChIKey is SLYMFCJYFGEQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-14(2)8-7-9-15(3)20-17(19)13-18-12-16-10-5-4-6-11-16/h4-6,10-11,14-15,18H,7-9,12-13H2,1-3H3.
What are the key properties of 6-methylheptan-2-yl 2-(benzylamino)acetate?
6-methylheptan-2-yl 2-(benzylamino)acetate has a molecular weight of 277.41 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylheptan-2-yl 2-(benzylamino)acetate is sourced from PubChem (CID 170788040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).