(2Z,6E)-7-[(2Z)-2-ethylidenehydrazinyl]-N-[4-(methoxymethyl)phenyl]-3-methylhepta-2,6-dien-4-ynamide

C18H21N3O2 — CID 134173858

IUPAC(2Z,6E)-7-[(2Z)-2-ethylidenehydrazinyl]-N-[4-(methoxymethyl)phenyl]-3-methylhepta-2,6-dien-4-ynamide
SMILESC/C=N\N/C=C/C#C/C(C)=C\C(=O)Nc1ccc(COC)cc1
InChIInChI=1S/C18H21N3O2/c1-4-19-20-12-6-5-7-15(2)13-18(22)21-17-10-8-16(9-11-17)14-23-3/h4,6,8-13,20H,14H2,1-3H3,(H,21,22)/b12-6+,15-13-,19-4-
InChIKeySVDBYVLJFLTYNZ-HCEMZWDESA-N
MW311.39 g/mol
LogP2.83
Rot. Bonds6

About (2Z,6E)-7-[(2Z)-2-ethylidenehydrazinyl]-N-[4-(methoxymethyl)phenyl]-3-methylhepta-2,6-dien-4-ynamide

(2Z,6E)-7-[(2Z)-2-ethylidenehydrazinyl]-N-[4-(methoxymethyl)phenyl]-3-methylhepta-2,6-dien-4-ynamide (PubChem CID 134173858) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is (2Z,6E)-7-[(2Z)-2-ethylidenehydrazinyl]-N-[4-(methoxymethyl)phenyl]-3-methylhepta-2,6-dien-4-ynamide.

Molecular Properties

Compound Name(2Z,6E)-7-[(2Z)-2-ethylidenehydrazinyl]-N-[4-(methoxymethyl)phenyl]-3-methylhepta-2,6-dien-4-ynamide
PubChem CID134173858
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name(2Z,6E)-7-[(2Z)-2-ethylidenehydrazinyl]-N-[4-(methoxymethyl)phenyl]-3-methylhepta-2,6-dien-4-ynamide
SMILESC/C=N\N/C=C/C#C/C(C)=C\C(=O)Nc1ccc(COC)cc1
InChIInChI=1S/C18H21N3O2/c1-4-19-20-12-6-5-7-15(2)13-18(22)21-17-10-8-16(9-11-17)14-23-3/h4,6,8-13,20H,14H2,1-3H3,(H,21,22)/b12-6+,15-13-,19-4-
InChIKeySVDBYVLJFLTYNZ-HCEMZWDESA-N
XLogP2.83
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 130699539
methyl (Z)-4-[4-(methoxymethyl)anilino]-2-methylbut-2-enoate
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4-[[2-cyano-3-[4-(methoxymethyl)phenyl]prop-2-enoyl]amino]benzoic acid
CID 126806158
N-(4-iodophenyl)-4-(methoxymethyl)benzamide
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(2R)-N-[4-(methoxymethyl)phenyl]-2-(tetradecanoylamino)butanediamide
CID 146382019
N-[4-(methoxymethyl)phenyl]-2-(tetradecanoylamino)butanediamide
CID 146382022
methyl 2-[4-(prop-2-enoylamino)phenyl]acetate
CID 14209754
methyl (Z)-2-hydroxy-4-[4-[[(E)-3-hydroxy-4-methoxy-4-oxobut-2-enoyl]amino]anilino]-4-oxobut-2-enoate
CID 134489839
4-(methoxymethyl)-N-(4-methylsulfanylphenyl)benzamide
CID 9153906
N-[4-(2-methoxyethoxy)phenyl]-4-(methoxymethyl)benzamide
CID 46441939
2-chloro-N-[[4-(methoxymethyl)phenyl]carbamoyl]propanamide
CID 114253205

Frequently Asked Questions

What is the IUPAC name of (2Z,6E)-7-[(2Z)-2-ethylidenehydrazinyl]-N-[4-(methoxymethyl)phenyl]-3-methylhepta-2,6-dien-4-ynamide?
The IUPAC name of (2Z,6E)-7-[(2Z)-2-ethylidenehydrazinyl]-N-[4-(methoxymethyl)phenyl]-3-methylhepta-2,6-dien-4-ynamide (CID 134173858) is (2Z,6E)-7-[(2Z)-2-ethylidenehydrazinyl]-N-[4-(methoxymethyl)phenyl]-3-methylhepta-2,6-dien-4-ynamide.
What is the SMILES notation for (2Z,6E)-7-[(2Z)-2-ethylidenehydrazinyl]-N-[4-(methoxymethyl)phenyl]-3-methylhepta-2,6-dien-4-ynamide?
The canonical SMILES for (2Z,6E)-7-[(2Z)-2-ethylidenehydrazinyl]-N-[4-(methoxymethyl)phenyl]-3-methylhepta-2,6-dien-4-ynamide is C/C=N\N/C=C/C#C/C(C)=C\C(=O)Nc1ccc(COC)cc1.
What is the InChIKey of (2Z,6E)-7-[(2Z)-2-ethylidenehydrazinyl]-N-[4-(methoxymethyl)phenyl]-3-methylhepta-2,6-dien-4-ynamide?
The InChIKey is SVDBYVLJFLTYNZ-HCEMZWDESA-N. The full InChI is InChI=1S/C18H21N3O2/c1-4-19-20-12-6-5-7-15(2)13-18(22)21-17-10-8-16(9-11-17)14-23-3/h4,6,8-13,20H,14H2,1-3H3,(H,21,22)/b12-6+,15-13-,19-4-.
What are the key properties of (2Z,6E)-7-[(2Z)-2-ethylidenehydrazinyl]-N-[4-(methoxymethyl)phenyl]-3-methylhepta-2,6-dien-4-ynamide?
(2Z,6E)-7-[(2Z)-2-ethylidenehydrazinyl]-N-[4-(methoxymethyl)phenyl]-3-methylhepta-2,6-dien-4-ynamide has a molecular weight of 311.39 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6E)-7-[(2Z)-2-ethylidenehydrazinyl]-N-[4-(methoxymethyl)phenyl]-3-methylhepta-2,6-dien-4-ynamide is sourced from PubChem (CID 134173858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).