(E)-N-[1-[ethyl-[2-[[(E)-oct-6-enoyl]amino]propyl]amino]propan-2-yl]oct-6-enamide

C24H45N3O2 — CID 102116556

IUPAC(E)-N-[1-[ethyl-[2-[[(E)-oct-6-enoyl]amino]propyl]amino]propan-2-yl]oct-6-enamide
SMILESC/C=C/CCCCC(=O)NC(C)CN(CC)CC(C)NC(=O)CCCC/C=C/C
InChIInChI=1S/C24H45N3O2/c1-6-9-11-13-15-17-23(28)25-21(4)19-27(8-3)20-22(5)26-24(29)18-16-14-12-10-7-2/h6-7,9-10,21-22H,8,11-20H2,1-5H3,(H,25,28)(H,26,29)/b9-6+,10-7+
InChIKeyLLQMAPAHNLIOND-KZZDLZNXSA-N
MW407.64 g/mol
LogP4.59
Rot. Bonds17

About (E)-N-[1-[ethyl-[2-[[(E)-oct-6-enoyl]amino]propyl]amino]propan-2-yl]oct-6-enamide

(E)-N-[1-[ethyl-[2-[[(E)-oct-6-enoyl]amino]propyl]amino]propan-2-yl]oct-6-enamide (PubChem CID 102116556) has the molecular formula C24H45N3O2 and a molecular weight of 407.64 g/mol. Its IUPAC name is (E)-N-[1-[ethyl-[2-[[(E)-oct-6-enoyl]amino]propyl]amino]propan-2-yl]oct-6-enamide.

Molecular Properties

Compound Name(E)-N-[1-[ethyl-[2-[[(E)-oct-6-enoyl]amino]propyl]amino]propan-2-yl]oct-6-enamide
PubChem CID102116556
Molecular FormulaC24H45N3O2
Molecular Weight407.64 g/mol
Exact Mass407.35
IUPAC Name(E)-N-[1-[ethyl-[2-[[(E)-oct-6-enoyl]amino]propyl]amino]propan-2-yl]oct-6-enamide
SMILESC/C=C/CCCCC(=O)NC(C)CN(CC)CC(C)NC(=O)CCCC/C=C/C
InChIInChI=1S/C24H45N3O2/c1-6-9-11-13-15-17-23(28)25-21(4)19-27(8-3)20-22(5)26-24(29)18-16-14-12-10-7-2/h6-7,9-10,21-22H,8,11-20H2,1-5H3,(H,25,28)(H,26,29)/b9-6+,10-7+
InChIKeyLLQMAPAHNLIOND-KZZDLZNXSA-N
XLogP4.59
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.64
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(E)-N-[1-[3-hydroxypropyl-[2-[[(E)-non-7-enoyl]amino]propyl]amino]propan-2-yl]non-7-enamide
CID 101285828
N-[1-[ethyl-[2-(octanoylamino)propyl]amino]propan-2-yl]octanamide
CID 102116491
(E)-N-[1-[methyl-[2-[[(E)-oct-5-enoyl]amino]propyl]amino]propan-2-yl]oct-5-enamide
CID 102116531
N-(1-hydroxypropan-2-yl)tetracos-15-enamide
CID 173265118
(Z)-N-[(2R)-1-hydroxypropan-2-yl]docos-13-enamide
CID 53318751
(E)-N-[(2S)-1-hydroxypropan-2-yl]octadec-9-enamide
CID 66509136
5-bromo-N-[5-(diethylamino)pentan-2-yl]pentanamide
CID 114014573
(E)-N-[1-[3-hydroxypropyl-[2-[[(E)-non-3-enoyl]amino]propyl]amino]propan-2-yl]non-3-enamide
CID 101285824
2-(tert-butylamino)-N-[1-(diethylamino)propan-2-yl]acetamide
CID 78986835
(E)-N-[3-[2-hydroxypropyl-[3-[[(E)-oct-6-enoyl]amino]propyl]amino]propyl]oct-6-enamide
CID 101285841
(E)-N-[1-[2-hydroxypropyl-[2-[[(E)-oct-3-enoyl]amino]propyl]amino]propan-2-yl]oct-3-enamide
CID 101285844
N-[1-(diethylamino)propan-2-yl]-2-(prop-2-enylamino)acetamide
CID 79278726

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-[ethyl-[2-[[(E)-oct-6-enoyl]amino]propyl]amino]propan-2-yl]oct-6-enamide?
The IUPAC name of (E)-N-[1-[ethyl-[2-[[(E)-oct-6-enoyl]amino]propyl]amino]propan-2-yl]oct-6-enamide (CID 102116556) is (E)-N-[1-[ethyl-[2-[[(E)-oct-6-enoyl]amino]propyl]amino]propan-2-yl]oct-6-enamide.
What is the SMILES notation for (E)-N-[1-[ethyl-[2-[[(E)-oct-6-enoyl]amino]propyl]amino]propan-2-yl]oct-6-enamide?
The canonical SMILES for (E)-N-[1-[ethyl-[2-[[(E)-oct-6-enoyl]amino]propyl]amino]propan-2-yl]oct-6-enamide is C/C=C/CCCCC(=O)NC(C)CN(CC)CC(C)NC(=O)CCCC/C=C/C.
What is the InChIKey of (E)-N-[1-[ethyl-[2-[[(E)-oct-6-enoyl]amino]propyl]amino]propan-2-yl]oct-6-enamide?
The InChIKey is LLQMAPAHNLIOND-KZZDLZNXSA-N. The full InChI is InChI=1S/C24H45N3O2/c1-6-9-11-13-15-17-23(28)25-21(4)19-27(8-3)20-22(5)26-24(29)18-16-14-12-10-7-2/h6-7,9-10,21-22H,8,11-20H2,1-5H3,(H,25,28)(H,26,29)/b9-6+,10-7+.
What are the key properties of (E)-N-[1-[ethyl-[2-[[(E)-oct-6-enoyl]amino]propyl]amino]propan-2-yl]oct-6-enamide?
(E)-N-[1-[ethyl-[2-[[(E)-oct-6-enoyl]amino]propyl]amino]propan-2-yl]oct-6-enamide has a molecular weight of 407.64 g/mol, XLogP of 4.59, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-[ethyl-[2-[[(E)-oct-6-enoyl]amino]propyl]amino]propan-2-yl]oct-6-enamide is sourced from PubChem (CID 102116556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).