N-[2-[3-aminobutyl(methyl)amino]ethyl]-N-[(2E)-4-methoxypenta-2,4-dien-2-yl]acetamide

C15H29N3O2 — CID 143375845

IUPACN-[2-[3-aminobutyl(methyl)amino]ethyl]-N-[(2E)-4-methoxypenta-2,4-dien-2-yl]acetamide
SMILESC=C(/C=C(\C)N(CCN(C)CCC(C)N)C(C)=O)OC
InChIInChI=1S/C15H29N3O2/c1-12(16)7-8-17(5)9-10-18(15(4)19)13(2)11-14(3)20-6/h11-12H,3,7-10,16H2,1-2,4-6H3/b13-11+
InChIKeyWVKNNNDWPVYOSF-ACCUITESSA-N
MW283.42 g/mol
LogP1.57
Rot. Bonds9

About N-[2-[3-aminobutyl(methyl)amino]ethyl]-N-[(2E)-4-methoxypenta-2,4-dien-2-yl]acetamide

N-[2-[3-aminobutyl(methyl)amino]ethyl]-N-[(2E)-4-methoxypenta-2,4-dien-2-yl]acetamide (PubChem CID 143375845) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[2-[3-aminobutyl(methyl)amino]ethyl]-N-[(2E)-4-methoxypenta-2,4-dien-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[3-aminobutyl(methyl)amino]ethyl]-N-[(2E)-4-methoxypenta-2,4-dien-2-yl]acetamide
PubChem CID143375845
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN-[2-[3-aminobutyl(methyl)amino]ethyl]-N-[(2E)-4-methoxypenta-2,4-dien-2-yl]acetamide
SMILESC=C(/C=C(\C)N(CCN(C)CCC(C)N)C(C)=O)OC
InChIInChI=1S/C15H29N3O2/c1-12(16)7-8-17(5)9-10-18(15(4)19)13(2)11-14(3)20-6/h11-12H,3,7-10,16H2,1-2,4-6H3/b13-11+
InChIKeyWVKNNNDWPVYOSF-ACCUITESSA-N
XLogP1.57
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-aminobutyl(methyl)amino]ethyl]-N-[(2E)-4-methoxypenta-2,4-dien-2-yl]acetamide?
The IUPAC name of N-[2-[3-aminobutyl(methyl)amino]ethyl]-N-[(2E)-4-methoxypenta-2,4-dien-2-yl]acetamide (CID 143375845) is N-[2-[3-aminobutyl(methyl)amino]ethyl]-N-[(2E)-4-methoxypenta-2,4-dien-2-yl]acetamide.
What is the SMILES notation for N-[2-[3-aminobutyl(methyl)amino]ethyl]-N-[(2E)-4-methoxypenta-2,4-dien-2-yl]acetamide?
The canonical SMILES for N-[2-[3-aminobutyl(methyl)amino]ethyl]-N-[(2E)-4-methoxypenta-2,4-dien-2-yl]acetamide is C=C(/C=C(\C)N(CCN(C)CCC(C)N)C(C)=O)OC.
What is the InChIKey of N-[2-[3-aminobutyl(methyl)amino]ethyl]-N-[(2E)-4-methoxypenta-2,4-dien-2-yl]acetamide?
The InChIKey is WVKNNNDWPVYOSF-ACCUITESSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-12(16)7-8-17(5)9-10-18(15(4)19)13(2)11-14(3)20-6/h11-12H,3,7-10,16H2,1-2,4-6H3/b13-11+.
What are the key properties of N-[2-[3-aminobutyl(methyl)amino]ethyl]-N-[(2E)-4-methoxypenta-2,4-dien-2-yl]acetamide?
N-[2-[3-aminobutyl(methyl)amino]ethyl]-N-[(2E)-4-methoxypenta-2,4-dien-2-yl]acetamide has a molecular weight of 283.42 g/mol, XLogP of 1.57, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-aminobutyl(methyl)amino]ethyl]-N-[(2E)-4-methoxypenta-2,4-dien-2-yl]acetamide is sourced from PubChem (CID 143375845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).