3-cyclohexyloxy-N-methyl-N-[(Z)-octadec-9-enyl]propanamide

C28H53NO2 — CID 169179957

IUPAC3-cyclohexyloxy-N-methyl-N-[(Z)-octadec-9-enyl]propanamide
SMILESCCCCCCCC/C=C\CCCCCCCCN(C)C(=O)CCOC1CCCCC1
InChIInChI=1S/C28H53NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-29(2)28(30)24-26-31-27-22-19-18-20-23-27/h10-11,27H,3-9,12-26H2,1-2H3/b11-10-
InChIKeyQLQUABFRFDECDJ-KHPPLWFESA-N
MW435.74 g/mol
LogP8.22
Rot. Bonds20

About 3-cyclohexyloxy-N-methyl-N-[(Z)-octadec-9-enyl]propanamide

3-cyclohexyloxy-N-methyl-N-[(Z)-octadec-9-enyl]propanamide (PubChem CID 169179957) has the molecular formula C28H53NO2 and a molecular weight of 435.74 g/mol. Its IUPAC name is 3-cyclohexyloxy-N-methyl-N-[(Z)-octadec-9-enyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyloxy-N-methyl-N-[(Z)-octadec-9-enyl]propanamide
PubChem CID169179957
Molecular FormulaC28H53NO2
Molecular Weight435.74 g/mol
Exact Mass435.41
IUPAC Name3-cyclohexyloxy-N-methyl-N-[(Z)-octadec-9-enyl]propanamide
SMILESCCCCCCCC/C=C\CCCCCCCCN(C)C(=O)CCOC1CCCCC1
InChIInChI=1S/C28H53NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-29(2)28(30)24-26-31-27-22-19-18-20-23-27/h10-11,27H,3-9,12-26H2,1-2H3/b11-10-
InChIKeyQLQUABFRFDECDJ-KHPPLWFESA-N
XLogP8.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.74
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-[(Z)-octadec-9-enoyl]amino]ethyl (Z)-octadec-9-enoate
CID 54611864
4-[[(Z)-docos-13-enoyl]-methylamino]butane-1-sulfonic acid
CID 101284668
2-(cyclopentylamino)-N-methyl-N-pentylacetamide
CID 60847426
N-methyl-N-octylnonanamide
CID 140654825
N-methyl-N-octylheptacosanamide
CID 87394998
cyclohexyl octadeca-9,11,13-trienoate
CID 54410589
N,N-dimethylcyclohexanamine;(Z)-octadec-9-enoic acid
CID 131882797
potassium 4-[methyl-[(E)-octadec-9-enoyl]amino]butane-1-sulfonate
CID 101284647
2-[methyl(octadec-11-enoyl)amino]acetic acid
CID 175197754
2-[[(Z)-docos-13-enoyl]-methylamino]acetic acid
CID 109374190
2-[[(E)-hexadec-8-enoyl]-methylamino]acetic acid
CID 20606581
2-[methyl-[(Z)-octadec-9-enoyl]amino]acetic acid;zinc
CID 158929177

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxy-N-methyl-N-[(Z)-octadec-9-enyl]propanamide?
The IUPAC name of 3-cyclohexyloxy-N-methyl-N-[(Z)-octadec-9-enyl]propanamide (CID 169179957) is 3-cyclohexyloxy-N-methyl-N-[(Z)-octadec-9-enyl]propanamide.
What is the SMILES notation for 3-cyclohexyloxy-N-methyl-N-[(Z)-octadec-9-enyl]propanamide?
The canonical SMILES for 3-cyclohexyloxy-N-methyl-N-[(Z)-octadec-9-enyl]propanamide is CCCCCCCC/C=C\CCCCCCCCN(C)C(=O)CCOC1CCCCC1.
What is the InChIKey of 3-cyclohexyloxy-N-methyl-N-[(Z)-octadec-9-enyl]propanamide?
The InChIKey is QLQUABFRFDECDJ-KHPPLWFESA-N. The full InChI is InChI=1S/C28H53NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-29(2)28(30)24-26-31-27-22-19-18-20-23-27/h10-11,27H,3-9,12-26H2,1-2H3/b11-10-.
What are the key properties of 3-cyclohexyloxy-N-methyl-N-[(Z)-octadec-9-enyl]propanamide?
3-cyclohexyloxy-N-methyl-N-[(Z)-octadec-9-enyl]propanamide has a molecular weight of 435.74 g/mol, XLogP of 8.22, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-N-methyl-N-[(Z)-octadec-9-enyl]propanamide is sourced from PubChem (CID 169179957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).