N-[(2R,3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]-N-[(2R,5Z,7E)-7-methoxydeca-5,7-dien-2-yl]acetamide

C22H35NO2 — CID 143085946

IUPACN-[(2R,3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]-N-[(2R,5Z,7E)-7-methoxydeca-5,7-dien-2-yl]acetamide
SMILESC=C/C=C\C(=C/C)[C@@H](C)N(C(C)=O)[C@H](C)CC/C=C\C(=C/CC)OC
InChIInChI=1S/C22H35NO2/c1-8-11-16-21(10-3)19(5)23(20(6)24)18(4)15-12-13-17-22(25-7)14-9-2/h8,10-11,13-14,16-19H,1,9,12,15H2,2-7H3/b16-11-,17-13-,21-10+,22-14+/t18-,19-/m1/s1
InChIKeyHRGKULAHIYBFCU-IBMHFXNASA-N
MW345.53 g/mol
LogP5.58
Rot. Bonds11

About N-[(2R,3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]-N-[(2R,5Z,7E)-7-methoxydeca-5,7-dien-2-yl]acetamide

N-[(2R,3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]-N-[(2R,5Z,7E)-7-methoxydeca-5,7-dien-2-yl]acetamide (PubChem CID 143085946) has the molecular formula C22H35NO2 and a molecular weight of 345.53 g/mol. Its IUPAC name is N-[(2R,3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]-N-[(2R,5Z,7E)-7-methoxydeca-5,7-dien-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]-N-[(2R,5Z,7E)-7-methoxydeca-5,7-dien-2-yl]acetamide
PubChem CID143085946
Molecular FormulaC22H35NO2
Molecular Weight345.53 g/mol
Exact Mass345.27
IUPAC NameN-[(2R,3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]-N-[(2R,5Z,7E)-7-methoxydeca-5,7-dien-2-yl]acetamide
SMILESC=C/C=C\C(=C/C)[C@@H](C)N(C(C)=O)[C@H](C)CC/C=C\C(=C/CC)OC
InChIInChI=1S/C22H35NO2/c1-8-11-16-21(10-3)19(5)23(20(6)24)18(4)15-12-13-17-22(25-7)14-9-2/h8,10-11,13-14,16-19H,1,9,12,15H2,2-7H3/b16-11-,17-13-,21-10+,22-14+/t18-,19-/m1/s1
InChIKeyHRGKULAHIYBFCU-IBMHFXNASA-N
XLogP5.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.53
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2R,3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]-N-[(2R,5Z,7E)-7-methoxydeca-5,7-dien-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]-N-[(2R,5Z,7E)-7-methoxydeca-5,7-dien-2-yl]acetamide?
The IUPAC name of N-[(2R,3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]-N-[(2R,5Z,7E)-7-methoxydeca-5,7-dien-2-yl]acetamide (CID 143085946) is N-[(2R,3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]-N-[(2R,5Z,7E)-7-methoxydeca-5,7-dien-2-yl]acetamide.
What is the SMILES notation for N-[(2R,3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]-N-[(2R,5Z,7E)-7-methoxydeca-5,7-dien-2-yl]acetamide?
The canonical SMILES for N-[(2R,3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]-N-[(2R,5Z,7E)-7-methoxydeca-5,7-dien-2-yl]acetamide is C=C/C=C\C(=C/C)[C@@H](C)N(C(C)=O)[C@H](C)CC/C=C\C(=C/CC)OC.
What is the InChIKey of N-[(2R,3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]-N-[(2R,5Z,7E)-7-methoxydeca-5,7-dien-2-yl]acetamide?
The InChIKey is HRGKULAHIYBFCU-IBMHFXNASA-N. The full InChI is InChI=1S/C22H35NO2/c1-8-11-16-21(10-3)19(5)23(20(6)24)18(4)15-12-13-17-22(25-7)14-9-2/h8,10-11,13-14,16-19H,1,9,12,15H2,2-7H3/b16-11-,17-13-,21-10+,22-14+/t18-,19-/m1/s1.
What are the key properties of N-[(2R,3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]-N-[(2R,5Z,7E)-7-methoxydeca-5,7-dien-2-yl]acetamide?
N-[(2R,3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]-N-[(2R,5Z,7E)-7-methoxydeca-5,7-dien-2-yl]acetamide has a molecular weight of 345.53 g/mol, XLogP of 5.58, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]-N-[(2R,5Z,7E)-7-methoxydeca-5,7-dien-2-yl]acetamide is sourced from PubChem (CID 143085946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).