methyl 3-[acetyl(cyclohexyl)amino]-3-methoxy-2-methylpropanoate

C14H25NO4 — CID 13496251

IUPACmethyl 3-[acetyl(cyclohexyl)amino]-3-methoxy-2-methylpropanoate
SMILESCOC(=O)C(C)C(OC)N(C(C)=O)C1CCCCC1
InChIInChI=1S/C14H25NO4/c1-10(14(17)19-4)13(18-3)15(11(2)16)12-8-6-5-7-9-12/h10,12-13H,5-9H2,1-4H3
InChIKeyRSVZZCUHURKZAP-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.95
Rot. Bonds5

About methyl 3-[acetyl(cyclohexyl)amino]-3-methoxy-2-methylpropanoate

methyl 3-[acetyl(cyclohexyl)amino]-3-methoxy-2-methylpropanoate (PubChem CID 13496251) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is methyl 3-[acetyl(cyclohexyl)amino]-3-methoxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[acetyl(cyclohexyl)amino]-3-methoxy-2-methylpropanoate
PubChem CID13496251
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Namemethyl 3-[acetyl(cyclohexyl)amino]-3-methoxy-2-methylpropanoate
SMILESCOC(=O)C(C)C(OC)N(C(C)=O)C1CCCCC1
InChIInChI=1S/C14H25NO4/c1-10(14(17)19-4)13(18-3)15(11(2)16)12-8-6-5-7-9-12/h10,12-13H,5-9H2,1-4H3
InChIKeyRSVZZCUHURKZAP-UHFFFAOYSA-N
XLogP1.95
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[acetyl(cyclohexyl)amino]-3-methoxy-2-methylpropanoate?
The IUPAC name of methyl 3-[acetyl(cyclohexyl)amino]-3-methoxy-2-methylpropanoate (CID 13496251) is methyl 3-[acetyl(cyclohexyl)amino]-3-methoxy-2-methylpropanoate.
What is the SMILES notation for methyl 3-[acetyl(cyclohexyl)amino]-3-methoxy-2-methylpropanoate?
The canonical SMILES for methyl 3-[acetyl(cyclohexyl)amino]-3-methoxy-2-methylpropanoate is COC(=O)C(C)C(OC)N(C(C)=O)C1CCCCC1.
What is the InChIKey of methyl 3-[acetyl(cyclohexyl)amino]-3-methoxy-2-methylpropanoate?
The InChIKey is RSVZZCUHURKZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-10(14(17)19-4)13(18-3)15(11(2)16)12-8-6-5-7-9-12/h10,12-13H,5-9H2,1-4H3.
What are the key properties of methyl 3-[acetyl(cyclohexyl)amino]-3-methoxy-2-methylpropanoate?
methyl 3-[acetyl(cyclohexyl)amino]-3-methoxy-2-methylpropanoate has a molecular weight of 271.36 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[acetyl(cyclohexyl)amino]-3-methoxy-2-methylpropanoate is sourced from PubChem (CID 13496251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).