3-[[4-(3-aminoprop-1-enyl)phenyl]methoxy]-4-methoxy-N'-methylbenzenecarboximidamide

C19H23N3O2 — CID 70473988

IUPAC3-[[4-(3-aminoprop-1-enyl)phenyl]methoxy]-4-methoxy-N'-methylbenzenecarboximidamide
SMILESC/N=C(\N)c1ccc(OC)c(OCc2ccc(C=CCN)cc2)c1
InChIInChI=1S/C19H23N3O2/c1-22-19(21)16-9-10-17(23-2)18(12-16)24-13-15-7-5-14(6-8-15)4-3-11-20/h3-10,12H,11,13,20H2,1-2H3,(H2,21,22)
InChIKeyNDCWBAQPTVKSPY-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.58
Rot. Bonds7

About 3-[[4-(3-aminoprop-1-enyl)phenyl]methoxy]-4-methoxy-N'-methylbenzenecarboximidamide

3-[[4-(3-aminoprop-1-enyl)phenyl]methoxy]-4-methoxy-N'-methylbenzenecarboximidamide (PubChem CID 70473988) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[[4-(3-aminoprop-1-enyl)phenyl]methoxy]-4-methoxy-N'-methylbenzenecarboximidamide.

Molecular Properties

Compound Name3-[[4-(3-aminoprop-1-enyl)phenyl]methoxy]-4-methoxy-N'-methylbenzenecarboximidamide
PubChem CID70473988
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-[[4-(3-aminoprop-1-enyl)phenyl]methoxy]-4-methoxy-N'-methylbenzenecarboximidamide
SMILESC/N=C(\N)c1ccc(OC)c(OCc2ccc(C=CCN)cc2)c1
InChIInChI=1S/C19H23N3O2/c1-22-19(21)16-9-10-17(23-2)18(12-16)24-13-15-7-5-14(6-8-15)4-3-11-20/h3-10,12H,11,13,20H2,1-2H3,(H2,21,22)
InChIKeyNDCWBAQPTVKSPY-UHFFFAOYSA-N
XLogP2.58
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-4-[3-[2-methoxy-4-(N'-methylcarbamimidoyl)phenoxy]propoxy]-N'-methylbenzenecarboximidamide
CID 44573805
N-hydroxy-4-[[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]methyl]benzamide
CID 175347350
4-[2-[4-(aminomethyl)phenyl]ethenyl]-N'-methylbenzenecarboximidamide
CID 57029880
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
4-methoxy-3-[(4-methylphenyl)methoxy]benzenecarbothioamide
CID 22681441
N'-ethenyl-3-methoxy-4-phenylmethoxybenzenecarboximidamide
CID 143003503
4-[(5-amino-2-methoxyphenoxy)methyl]benzamide
CID 24711094
(NZ)-N-[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 91681635
(E)-3-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]prop-2-enamide
CID 91685648
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
[[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]thiourea
CID 900230
[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]thiourea
CID 168535028

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-aminoprop-1-enyl)phenyl]methoxy]-4-methoxy-N'-methylbenzenecarboximidamide?
The IUPAC name of 3-[[4-(3-aminoprop-1-enyl)phenyl]methoxy]-4-methoxy-N'-methylbenzenecarboximidamide (CID 70473988) is 3-[[4-(3-aminoprop-1-enyl)phenyl]methoxy]-4-methoxy-N'-methylbenzenecarboximidamide.
What is the SMILES notation for 3-[[4-(3-aminoprop-1-enyl)phenyl]methoxy]-4-methoxy-N'-methylbenzenecarboximidamide?
The canonical SMILES for 3-[[4-(3-aminoprop-1-enyl)phenyl]methoxy]-4-methoxy-N'-methylbenzenecarboximidamide is C/N=C(\N)c1ccc(OC)c(OCc2ccc(C=CCN)cc2)c1.
What is the InChIKey of 3-[[4-(3-aminoprop-1-enyl)phenyl]methoxy]-4-methoxy-N'-methylbenzenecarboximidamide?
The InChIKey is NDCWBAQPTVKSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-22-19(21)16-9-10-17(23-2)18(12-16)24-13-15-7-5-14(6-8-15)4-3-11-20/h3-10,12H,11,13,20H2,1-2H3,(H2,21,22).
What are the key properties of 3-[[4-(3-aminoprop-1-enyl)phenyl]methoxy]-4-methoxy-N'-methylbenzenecarboximidamide?
3-[[4-(3-aminoprop-1-enyl)phenyl]methoxy]-4-methoxy-N'-methylbenzenecarboximidamide has a molecular weight of 325.41 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-aminoprop-1-enyl)phenyl]methoxy]-4-methoxy-N'-methylbenzenecarboximidamide is sourced from PubChem (CID 70473988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).