3-(4-amino-3-methanimidoylphenyl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide

C23H24N4O2 — CID 146209145

IUPAC3-(4-amino-3-methanimidoylphenyl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide
SMILES[H]/N=C/c1cc(-c2cccc(C(=O)NC(CN)c3cccc(OC)c3)c2)ccc1N
InChIInChI=1S/C23H24N4O2/c1-29-20-7-3-5-17(12-20)22(14-25)27-23(28)18-6-2-4-15(10-18)16-8-9-21(26)19(11-16)13-24/h2-13,22,24H,14,25-26H2,1H3,(H,27,28)/b24-13+
InChIKeyHXGOMBWPSVQGCY-ZMOGYAJESA-N
MW388.47 g/mol
LogP3.37
Rot. Bonds7

About 3-(4-amino-3-methanimidoylphenyl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide

3-(4-amino-3-methanimidoylphenyl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide (PubChem CID 146209145) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-(4-amino-3-methanimidoylphenyl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(4-amino-3-methanimidoylphenyl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide
PubChem CID146209145
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name3-(4-amino-3-methanimidoylphenyl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide
SMILES[H]/N=C/c1cc(-c2cccc(C(=O)NC(CN)c3cccc(OC)c3)c2)ccc1N
InChIInChI=1S/C23H24N4O2/c1-29-20-7-3-5-17(12-20)22(14-25)27-23(28)18-6-2-4-15(10-18)16-8-9-21(26)19(11-16)13-24/h2-13,22,24H,14,25-26H2,1H3,(H,27,28)/b24-13+
InChIKeyHXGOMBWPSVQGCY-ZMOGYAJESA-N
XLogP3.37
TPSA114.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-amino-1H-isoindol-5-yl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide
CID 163802313
N-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)benzamide
CID 146209142
N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-chlorobenzamide
CID 166366125
N-[2-amino-1-(3-methylphenyl)ethyl]-3-(7-methoxy-1H-isoindol-5-yl)benzamide
CID 163680039
N-[2-(dimethylamino)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide
CID 146208984
N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide
CID 146209069
4-amino-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 60927518
4-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 81373217
N-(1-amino-1-sulfanylidenepentan-2-yl)-3-methoxybenzamide
CID 61121299
(1,3-dioxoisoindol-2-yl)methyl 3-benzamido-3-(3-methoxyphenyl)propanoate
CID 171980317
N-[2-amino-1-(3-methoxyphenyl)ethyl]-6-bromoisoquinoline-3-carboxamide
CID 146207311
(3S)-3-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]propanoate
CID 6926091

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-methanimidoylphenyl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-(4-amino-3-methanimidoylphenyl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide (CID 146209145) is 3-(4-amino-3-methanimidoylphenyl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(4-amino-3-methanimidoylphenyl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-(4-amino-3-methanimidoylphenyl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide is [H]/N=C/c1cc(-c2cccc(C(=O)NC(CN)c3cccc(OC)c3)c2)ccc1N.
What is the InChIKey of 3-(4-amino-3-methanimidoylphenyl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide?
The InChIKey is HXGOMBWPSVQGCY-ZMOGYAJESA-N. The full InChI is InChI=1S/C23H24N4O2/c1-29-20-7-3-5-17(12-20)22(14-25)27-23(28)18-6-2-4-15(10-18)16-8-9-21(26)19(11-16)13-24/h2-13,22,24H,14,25-26H2,1H3,(H,27,28)/b24-13+.
What are the key properties of 3-(4-amino-3-methanimidoylphenyl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide?
3-(4-amino-3-methanimidoylphenyl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide has a molecular weight of 388.47 g/mol, XLogP of 3.37, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-methanimidoylphenyl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 146209145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).