13-methoxy-13-oxotridecanoic acid;N-methylmethanamine

C16H33NO4 — CID 88504944

IUPAC13-methoxy-13-oxotridecanoic acid;N-methylmethanamine
SMILESCNC.COC(=O)CCCCCCCCCCCC(=O)O
InChIInChI=1S/C14H26O4.C2H7N/c1-18-14(17)12-10-8-6-4-2-3-5-7-9-11-13(15)16;1-3-2/h2-12H2,1H3,(H,15,16);3H,1-2H3
InChIKeyFSWIHONZEBCPKQ-UHFFFAOYSA-N
MW303.44 g/mol
LogP3.37
Rot. Bonds12

About 13-methoxy-13-oxotridecanoic acid;N-methylmethanamine

13-methoxy-13-oxotridecanoic acid;N-methylmethanamine (PubChem CID 88504944) has the molecular formula C16H33NO4 and a molecular weight of 303.44 g/mol. Its IUPAC name is 13-methoxy-13-oxotridecanoic acid;N-methylmethanamine.

Molecular Properties

Compound Name13-methoxy-13-oxotridecanoic acid;N-methylmethanamine
PubChem CID88504944
Molecular FormulaC16H33NO4
Molecular Weight303.44 g/mol
Exact Mass303.24
IUPAC Name13-methoxy-13-oxotridecanoic acid;N-methylmethanamine
SMILESCNC.COC(=O)CCCCCCCCCCCC(=O)O
InChIInChI=1S/C14H26O4.C2H7N/c1-18-14(17)12-10-8-6-4-2-3-5-7-9-11-13(15)16;1-3-2/h2-12H2,1H3,(H,15,16);3H,1-2H3
InChIKeyFSWIHONZEBCPKQ-UHFFFAOYSA-N
XLogP3.37
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethyl tetradecanedioate;tetradecanedioic acid
CID 175922218
8-methoxy-8-oxooctanoic acid;hydrochloride
CID 87214836
dodecanoic acid;methyl hexadecanoate
CID 172688235
decanoic acid;methyl hexanoate
CID 160741081
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl dotriacontanedioate
CID 14325565
dimethyl tricosanedioate
CID 12632762
(Z)-16-methoxy-16-oxohexadec-7-enoic acid
CID 156891963
dimethyl hexanedioate;molecular hydrogen
CID 173272620
dimethyl butanedioate;hexanoic acid
CID 174884800
4-[(4-methoxy-4-oxobutyl)amino]butanoic acid
CID 139888388
dimethyl hexanedioate;λ2-stannane
CID 173290075

Frequently Asked Questions

What is the IUPAC name of 13-methoxy-13-oxotridecanoic acid;N-methylmethanamine?
The IUPAC name of 13-methoxy-13-oxotridecanoic acid;N-methylmethanamine (CID 88504944) is 13-methoxy-13-oxotridecanoic acid;N-methylmethanamine.
What is the SMILES notation for 13-methoxy-13-oxotridecanoic acid;N-methylmethanamine?
The canonical SMILES for 13-methoxy-13-oxotridecanoic acid;N-methylmethanamine is CNC.COC(=O)CCCCCCCCCCCC(=O)O.
What is the InChIKey of 13-methoxy-13-oxotridecanoic acid;N-methylmethanamine?
The InChIKey is FSWIHONZEBCPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4.C2H7N/c1-18-14(17)12-10-8-6-4-2-3-5-7-9-11-13(15)16;1-3-2/h2-12H2,1H3,(H,15,16);3H,1-2H3.
What are the key properties of 13-methoxy-13-oxotridecanoic acid;N-methylmethanamine?
13-methoxy-13-oxotridecanoic acid;N-methylmethanamine has a molecular weight of 303.44 g/mol, XLogP of 3.37, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methoxy-13-oxotridecanoic acid;N-methylmethanamine is sourced from PubChem (CID 88504944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).