ethane;N-[2-[(1Z,3E)-3-ethenyl-4-methylhexa-1,3,5-trienyl]phenyl]formamide

C18H23NO — CID 145359627

IUPACethane;N-[2-[(1Z,3E)-3-ethenyl-4-methylhexa-1,3,5-trienyl]phenyl]formamide
SMILESC=C/C(C)=C(C=C)/C=C\c1ccccc1NC=O.CC
InChIInChI=1S/C16H17NO.C2H6/c1-4-13(3)14(5-2)10-11-15-8-6-7-9-16(15)17-12-18;1-2/h4-12H,1-2H2,3H3,(H,17,18);1-2H3/b11-10-,14-13+;
InChIKeyHSSGNDLSMLKTNO-UFJWGXCDSA-N
MW269.39 g/mol
LogP4.98
Rot. Bonds6

About ethane;N-[2-[(1Z,3E)-3-ethenyl-4-methylhexa-1,3,5-trienyl]phenyl]formamide

ethane;N-[2-[(1Z,3E)-3-ethenyl-4-methylhexa-1,3,5-trienyl]phenyl]formamide (PubChem CID 145359627) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is ethane;N-[2-[(1Z,3E)-3-ethenyl-4-methylhexa-1,3,5-trienyl]phenyl]formamide.

Molecular Properties

Compound Nameethane;N-[2-[(1Z,3E)-3-ethenyl-4-methylhexa-1,3,5-trienyl]phenyl]formamide
PubChem CID145359627
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Nameethane;N-[2-[(1Z,3E)-3-ethenyl-4-methylhexa-1,3,5-trienyl]phenyl]formamide
SMILESC=C/C(C)=C(C=C)/C=C\c1ccccc1NC=O.CC
InChIInChI=1S/C16H17NO.C2H6/c1-4-13(3)14(5-2)10-11-15-8-6-7-9-16(15)17-12-18;1-2/h4-12H,1-2H2,3H3,(H,17,18);1-2H3/b11-10-,14-13+;
InChIKeyHSSGNDLSMLKTNO-UFJWGXCDSA-N
XLogP4.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(1Z,3E)-3-ethenyl-4-methylhexa-1,3,5-trienyl]phenyl]formamide
CID 145359628
N-[2-(2-methylprop-1-enyl)phenyl]formamide
CID 89257522
N-[2-[(1E)-3-amino-2-methylbuta-1,3-dienyl]phenyl]formamide
CID 130253123
N-[2-[(E)-3-oxobut-1-enyl]phenyl]acetamide
CID 10878239
N-ethenyl-2-[(1Z,3E)-3-ethenyl-8-(ethylamino)-4-[(Z)-prop-1-enyl]nona-1,3,8-trienyl]aniline
CID 170614649
N-[2-(1-phenylethenyl)phenyl]formamide
CID 14909514
ethane;(E)-3-[2-(hydroxyamino)phenyl]prop-2-enoic acid
CID 142952624
3-(2-acetamidophenyl)prop-2-enoic acid
CID 53423741
ethane;4-[2-(3-oxobut-1-enyl)phenyl]but-3-en-2-one
CID 91253043
2-[(1E)-3-methylbuta-1,3-dienyl]-N-phenylaniline
CID 22717024
N-(2-tert-butylphenyl)formamide;ethane
CID 143497447
ethane;N-(2-formylphenyl)acetamide
CID 142055624

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-[(1Z,3E)-3-ethenyl-4-methylhexa-1,3,5-trienyl]phenyl]formamide?
The IUPAC name of ethane;N-[2-[(1Z,3E)-3-ethenyl-4-methylhexa-1,3,5-trienyl]phenyl]formamide (CID 145359627) is ethane;N-[2-[(1Z,3E)-3-ethenyl-4-methylhexa-1,3,5-trienyl]phenyl]formamide.
What is the SMILES notation for ethane;N-[2-[(1Z,3E)-3-ethenyl-4-methylhexa-1,3,5-trienyl]phenyl]formamide?
The canonical SMILES for ethane;N-[2-[(1Z,3E)-3-ethenyl-4-methylhexa-1,3,5-trienyl]phenyl]formamide is C=C/C(C)=C(C=C)/C=C\c1ccccc1NC=O.CC.
What is the InChIKey of ethane;N-[2-[(1Z,3E)-3-ethenyl-4-methylhexa-1,3,5-trienyl]phenyl]formamide?
The InChIKey is HSSGNDLSMLKTNO-UFJWGXCDSA-N. The full InChI is InChI=1S/C16H17NO.C2H6/c1-4-13(3)14(5-2)10-11-15-8-6-7-9-16(15)17-12-18;1-2/h4-12H,1-2H2,3H3,(H,17,18);1-2H3/b11-10-,14-13+;.
What are the key properties of ethane;N-[2-[(1Z,3E)-3-ethenyl-4-methylhexa-1,3,5-trienyl]phenyl]formamide?
ethane;N-[2-[(1Z,3E)-3-ethenyl-4-methylhexa-1,3,5-trienyl]phenyl]formamide has a molecular weight of 269.39 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-[(1Z,3E)-3-ethenyl-4-methylhexa-1,3,5-trienyl]phenyl]formamide is sourced from PubChem (CID 145359627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).