N-[1-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-2-hydroxyethyl]formamide

C16H19NO2 — CID 170955115

IUPACN-[1-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-2-hydroxyethyl]formamide
SMILESC=C/C=C(\C=C/C)c1ccc(C(CO)NC=O)cc1
InChIInChI=1S/C16H19NO2/c1-3-5-13(6-4-2)14-7-9-15(10-8-14)16(11-18)17-12-19/h3-10,12,16,18H,1,11H2,2H3,(H,17,19)/b6-4-,13-5+
InChIKeyMOLNDEPRLVYJDV-GLRUQPRCSA-N
MW257.33 g/mol
LogP2.61
Rot. Bonds7

About N-[1-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-2-hydroxyethyl]formamide

N-[1-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-2-hydroxyethyl]formamide (PubChem CID 170955115) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[1-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-2-hydroxyethyl]formamide.

Molecular Properties

Compound NameN-[1-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-2-hydroxyethyl]formamide
PubChem CID170955115
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-[1-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-2-hydroxyethyl]formamide
SMILESC=C/C=C(\C=C/C)c1ccc(C(CO)NC=O)cc1
InChIInChI=1S/C16H19NO2/c1-3-5-13(6-4-2)14-7-9-15(10-8-14)16(11-18)17-12-19/h3-10,12,16,18H,1,11H2,2H3,(H,17,19)/b6-4-,13-5+
InChIKeyMOLNDEPRLVYJDV-GLRUQPRCSA-N
XLogP2.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-2-hydroxyethyl]formamide 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-[1-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-2-hydroxyethyl]formamide?
The IUPAC name of N-[1-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-2-hydroxyethyl]formamide (CID 170955115) is N-[1-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-2-hydroxyethyl]formamide.
What is the SMILES notation for N-[1-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-2-hydroxyethyl]formamide?
The canonical SMILES for N-[1-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-2-hydroxyethyl]formamide is C=C/C=C(\C=C/C)c1ccc(C(CO)NC=O)cc1.
What is the InChIKey of N-[1-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-2-hydroxyethyl]formamide?
The InChIKey is MOLNDEPRLVYJDV-GLRUQPRCSA-N. The full InChI is InChI=1S/C16H19NO2/c1-3-5-13(6-4-2)14-7-9-15(10-8-14)16(11-18)17-12-19/h3-10,12,16,18H,1,11H2,2H3,(H,17,19)/b6-4-,13-5+.
What are the key properties of N-[1-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-2-hydroxyethyl]formamide?
N-[1-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-2-hydroxyethyl]formamide has a molecular weight of 257.33 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-2-hydroxyethyl]formamide is sourced from PubChem (CID 170955115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).