N-methyl-N'-[(Z)-13-[2-(oxan-4-ylamino)-2-oxoethoxy]tridec-5-enyl]oxamide

C23H41N3O5 — CID 126483512

IUPACN-methyl-N'-[(Z)-13-[2-(oxan-4-ylamino)-2-oxoethoxy]tridec-5-enyl]oxamide
SMILESCNC(=O)C(=O)NCCCC/C=C\CCCCCCCOCC(=O)NC1CCOCC1
InChIInChI=1S/C23H41N3O5/c1-24-22(28)23(29)25-15-11-9-7-5-3-2-4-6-8-10-12-16-31-19-21(27)26-20-13-17-30-18-14-20/h3,5,20H,2,4,6-19H2,1H3,(H,24,28)(H,25,29)(H,26,27)/b5-3-
InChIKeyDSWIXTCDSILVPX-HYXAFXHYSA-N
MW439.60 g/mol
LogP2.23
Rot. Bonds16

About N-methyl-N'-[(Z)-13-[2-(oxan-4-ylamino)-2-oxoethoxy]tridec-5-enyl]oxamide

N-methyl-N'-[(Z)-13-[2-(oxan-4-ylamino)-2-oxoethoxy]tridec-5-enyl]oxamide (PubChem CID 126483512) has the molecular formula C23H41N3O5 and a molecular weight of 439.60 g/mol. Its IUPAC name is N-methyl-N'-[(Z)-13-[2-(oxan-4-ylamino)-2-oxoethoxy]tridec-5-enyl]oxamide.

Molecular Properties

Compound NameN-methyl-N'-[(Z)-13-[2-(oxan-4-ylamino)-2-oxoethoxy]tridec-5-enyl]oxamide
PubChem CID126483512
Molecular FormulaC23H41N3O5
Molecular Weight439.60 g/mol
Exact Mass439.30
IUPAC NameN-methyl-N'-[(Z)-13-[2-(oxan-4-ylamino)-2-oxoethoxy]tridec-5-enyl]oxamide
SMILESCNC(=O)C(=O)NCCCC/C=C\CCCCCCCOCC(=O)NC1CCOCC1
InChIInChI=1S/C23H41N3O5/c1-24-22(28)23(29)25-15-11-9-7-5-3-2-4-6-8-10-12-16-31-19-21(27)26-20-13-17-30-18-14-20/h3,5,20H,2,4,6-19H2,1H3,(H,24,28)(H,25,29)(H,26,27)/b5-3-
InChIKeyDSWIXTCDSILVPX-HYXAFXHYSA-N
XLogP2.23
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[(Z)-13-[2-(oxan-4-ylamino)-2-oxoethoxy]tridec-5-enyl]oxamide?
The IUPAC name of N-methyl-N'-[(Z)-13-[2-(oxan-4-ylamino)-2-oxoethoxy]tridec-5-enyl]oxamide (CID 126483512) is N-methyl-N'-[(Z)-13-[2-(oxan-4-ylamino)-2-oxoethoxy]tridec-5-enyl]oxamide.
What is the SMILES notation for N-methyl-N'-[(Z)-13-[2-(oxan-4-ylamino)-2-oxoethoxy]tridec-5-enyl]oxamide?
The canonical SMILES for N-methyl-N'-[(Z)-13-[2-(oxan-4-ylamino)-2-oxoethoxy]tridec-5-enyl]oxamide is CNC(=O)C(=O)NCCCC/C=C\CCCCCCCOCC(=O)NC1CCOCC1.
What is the InChIKey of N-methyl-N'-[(Z)-13-[2-(oxan-4-ylamino)-2-oxoethoxy]tridec-5-enyl]oxamide?
The InChIKey is DSWIXTCDSILVPX-HYXAFXHYSA-N. The full InChI is InChI=1S/C23H41N3O5/c1-24-22(28)23(29)25-15-11-9-7-5-3-2-4-6-8-10-12-16-31-19-21(27)26-20-13-17-30-18-14-20/h3,5,20H,2,4,6-19H2,1H3,(H,24,28)(H,25,29)(H,26,27)/b5-3-.
What are the key properties of N-methyl-N'-[(Z)-13-[2-(oxan-4-ylamino)-2-oxoethoxy]tridec-5-enyl]oxamide?
N-methyl-N'-[(Z)-13-[2-(oxan-4-ylamino)-2-oxoethoxy]tridec-5-enyl]oxamide has a molecular weight of 439.60 g/mol, XLogP of 2.23, 16 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[(Z)-13-[2-(oxan-4-ylamino)-2-oxoethoxy]tridec-5-enyl]oxamide is sourced from PubChem (CID 126483512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).