4-(dihexylamino)-2-methylhex-2-enamide

C19H38N2O — CID 173220582

IUPAC4-(dihexylamino)-2-methylhex-2-enamide
SMILESCCCCCCN(CCCCCC)C(C=C(C)C(N)=O)CC
InChIInChI=1S/C19H38N2O/c1-5-8-10-12-14-21(15-13-11-9-6-2)18(7-3)16-17(4)19(20)22/h16,18H,5-15H2,1-4H3,(H2,20,22)
InChIKeyPNJWNXSCIRKBQQ-UHFFFAOYSA-N
MW310.53 g/mol
LogP4.66
Rot. Bonds14

About 4-(dihexylamino)-2-methylhex-2-enamide

4-(dihexylamino)-2-methylhex-2-enamide (PubChem CID 173220582) has the molecular formula C19H38N2O and a molecular weight of 310.53 g/mol. Its IUPAC name is 4-(dihexylamino)-2-methylhex-2-enamide.

Molecular Properties

Compound Name4-(dihexylamino)-2-methylhex-2-enamide
PubChem CID173220582
Molecular FormulaC19H38N2O
Molecular Weight310.53 g/mol
Exact Mass310.30
IUPAC Name4-(dihexylamino)-2-methylhex-2-enamide
SMILESCCCCCCN(CCCCCC)C(C=C(C)C(N)=O)CC
InChIInChI=1S/C19H38N2O/c1-5-8-10-12-14-21(15-13-11-9-6-2)18(7-3)16-17(4)19(20)22/h16,18H,5-15H2,1-4H3,(H2,20,22)
InChIKeyPNJWNXSCIRKBQQ-UHFFFAOYSA-N
XLogP4.66
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-4-(diethylamino)hex-2-enamide;(E)-4-(diethylamino)-2-methylhex-2-enamide
CID 87433535
2-methyl-4-octyltridec-2-enamide
CID 173039880
N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide
CID 173350322
N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide;hydrobromide
CID 173350298
(E)-2-methylhexadec-2-enamide
CID 87240184
2-methylnonacos-2-enamide
CID 141002865
4-amino-2-methylhex-2-enamide
CID 73453875
(E)-N,N,N',N'-tetrahexylbut-2-enediamide
CID 91739801
1-[di(nonadecyl)amino]propan-1-ol
CID 87359207
N',N'-dioctadecyloxamide
CID 54497742
CID 175857713
CID 175857713
(2S)-5-amino-2-[butyl(dodecyl)amino]-5-oxopentanoic acid
CID 150171158

Frequently Asked Questions

What is the IUPAC name of 4-(dihexylamino)-2-methylhex-2-enamide?
The IUPAC name of 4-(dihexylamino)-2-methylhex-2-enamide (CID 173220582) is 4-(dihexylamino)-2-methylhex-2-enamide.
What is the SMILES notation for 4-(dihexylamino)-2-methylhex-2-enamide?
The canonical SMILES for 4-(dihexylamino)-2-methylhex-2-enamide is CCCCCCN(CCCCCC)C(C=C(C)C(N)=O)CC.
What is the InChIKey of 4-(dihexylamino)-2-methylhex-2-enamide?
The InChIKey is PNJWNXSCIRKBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O/c1-5-8-10-12-14-21(15-13-11-9-6-2)18(7-3)16-17(4)19(20)22/h16,18H,5-15H2,1-4H3,(H2,20,22).
What are the key properties of 4-(dihexylamino)-2-methylhex-2-enamide?
4-(dihexylamino)-2-methylhex-2-enamide has a molecular weight of 310.53 g/mol, XLogP of 4.66, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dihexylamino)-2-methylhex-2-enamide is sourced from PubChem (CID 173220582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).