propyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate

C17H19NO3 — CID 91722116

IUPACpropyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate
SMILESCCCOC(=O)CN(C)C(=O)c1cccc2ccccc12
InChIInChI=1S/C17H19NO3/c1-3-11-21-16(19)12-18(2)17(20)15-10-6-8-13-7-4-5-9-14(13)15/h4-10H,3,11-12H2,1-2H3
InChIKeyKPFUTBYCLGRDIM-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.87
Rot. Bonds5

About propyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate

propyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate (PubChem CID 91722116) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is propyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate.

Molecular Properties

Compound Namepropyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate
PubChem CID91722116
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namepropyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate
SMILESCCCOC(=O)CN(C)C(=O)c1cccc2ccccc12
InChIInChI=1S/C17H19NO3/c1-3-11-21-16(19)12-18(2)17(20)15-10-6-8-13-7-4-5-9-14(13)15/h4-10H,3,11-12H2,1-2H3
InChIKeyKPFUTBYCLGRDIM-UHFFFAOYSA-N
XLogP2.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate?
The IUPAC name of propyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate (CID 91722116) is propyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate.
What is the SMILES notation for propyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate?
The canonical SMILES for propyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate is CCCOC(=O)CN(C)C(=O)c1cccc2ccccc12.
What is the InChIKey of propyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate?
The InChIKey is KPFUTBYCLGRDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-3-11-21-16(19)12-18(2)17(20)15-10-6-8-13-7-4-5-9-14(13)15/h4-10H,3,11-12H2,1-2H3.
What are the key properties of propyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate?
propyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate has a molecular weight of 285.34 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate is sourced from PubChem (CID 91722116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).