(2S)-N-ethyl-2-(ethylamino)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]propanamide

C14H24N2O — CID 89347279

IUPAC(2S)-N-ethyl-2-(ethylamino)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]propanamide
SMILESC=C/C=C(\C=C/C)N(CC)C(=O)[C@H](C)NCC
InChIInChI=1S/C14H24N2O/c1-6-10-13(11-7-2)16(9-4)14(17)12(5)15-8-3/h6-7,10-12,15H,1,8-9H2,2-5H3/b11-7-,13-10+/t12-/m0/s1
InChIKeyYZSHKTZKJOLKEO-TUHDSVSTSA-N
MW236.36 g/mol
LogP2.48
Rot. Bonds7

About (2S)-N-ethyl-2-(ethylamino)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]propanamide

(2S)-N-ethyl-2-(ethylamino)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]propanamide (PubChem CID 89347279) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (2S)-N-ethyl-2-(ethylamino)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-2-(ethylamino)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]propanamide
PubChem CID89347279
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(2S)-N-ethyl-2-(ethylamino)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]propanamide
SMILESC=C/C=C(\C=C/C)N(CC)C(=O)[C@H](C)NCC
InChIInChI=1S/C14H24N2O/c1-6-10-13(11-7-2)16(9-4)14(17)12(5)15-8-3/h6-7,10-12,15H,1,8-9H2,2-5H3/b11-7-,13-10+/t12-/m0/s1
InChIKeyYZSHKTZKJOLKEO-TUHDSVSTSA-N
XLogP2.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-2-(ethylamino)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]propanamide?
The IUPAC name of (2S)-N-ethyl-2-(ethylamino)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]propanamide (CID 89347279) is (2S)-N-ethyl-2-(ethylamino)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]propanamide.
What is the SMILES notation for (2S)-N-ethyl-2-(ethylamino)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]propanamide?
The canonical SMILES for (2S)-N-ethyl-2-(ethylamino)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]propanamide is C=C/C=C(\C=C/C)N(CC)C(=O)[C@H](C)NCC.
What is the InChIKey of (2S)-N-ethyl-2-(ethylamino)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]propanamide?
The InChIKey is YZSHKTZKJOLKEO-TUHDSVSTSA-N. The full InChI is InChI=1S/C14H24N2O/c1-6-10-13(11-7-2)16(9-4)14(17)12(5)15-8-3/h6-7,10-12,15H,1,8-9H2,2-5H3/b11-7-,13-10+/t12-/m0/s1.
What are the key properties of (2S)-N-ethyl-2-(ethylamino)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]propanamide?
(2S)-N-ethyl-2-(ethylamino)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]propanamide has a molecular weight of 236.36 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-2-(ethylamino)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]propanamide is sourced from PubChem (CID 89347279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).