N-[2-amino-1-(3-methylphenyl)ethyl]-3-(7-methoxy-1H-isoindol-5-yl)benzamide

C25H25N3O2 — CID 163680039

IUPACN-[2-amino-1-(3-methylphenyl)ethyl]-3-(7-methoxy-1H-isoindol-5-yl)benzamide
SMILESCOc1cc(-c2cccc(C(=O)NC(CN)c3cccc(C)c3)c2)cc2c1CN=C2
InChIInChI=1S/C25H25N3O2/c1-16-5-3-7-18(9-16)23(13-26)28-25(29)19-8-4-6-17(10-19)20-11-21-14-27-15-22(21)24(12-20)30-2/h3-12,14,23H,13,15,26H2,1-2H3,(H,28,29)
InChIKeyHZEWFBQIONZDOM-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.03
Rot. Bonds6

About N-[2-amino-1-(3-methylphenyl)ethyl]-3-(7-methoxy-1H-isoindol-5-yl)benzamide

N-[2-amino-1-(3-methylphenyl)ethyl]-3-(7-methoxy-1H-isoindol-5-yl)benzamide (PubChem CID 163680039) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[2-amino-1-(3-methylphenyl)ethyl]-3-(7-methoxy-1H-isoindol-5-yl)benzamide.

Molecular Properties

Compound NameN-[2-amino-1-(3-methylphenyl)ethyl]-3-(7-methoxy-1H-isoindol-5-yl)benzamide
PubChem CID163680039
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-[2-amino-1-(3-methylphenyl)ethyl]-3-(7-methoxy-1H-isoindol-5-yl)benzamide
SMILESCOc1cc(-c2cccc(C(=O)NC(CN)c3cccc(C)c3)c2)cc2c1CN=C2
InChIInChI=1S/C25H25N3O2/c1-16-5-3-7-18(9-16)23(13-26)28-25(29)19-8-4-6-17(10-19)20-11-21-14-27-15-22(21)24(12-20)30-2/h3-12,14,23H,13,15,26H2,1-2H3,(H,28,29)
InChIKeyHZEWFBQIONZDOM-UHFFFAOYSA-N
XLogP4.03
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-amino-1-(3-methylphenyl)ethyl]-2-methoxy-5-(3-methyl-1H-isoindol-5-yl)benzamide
CID 163869699
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
3-(4-amino-3-methanimidoylphenyl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide
CID 146209145
N-(2-amino-1-phenylethyl)-4-fluoro-3-methoxybenzamide
CID 81289414
N-[1-(2-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide
CID 163954256
N-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide;N-[(1R)-2-amino-1-(3-methylphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide
CID 163760152
N-(2-amino-1-phenylethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide
CID 131635882
N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-chlorobenzamide
CID 166366125
N-[2-amino-1-(3-methylphenyl)ethyl]-6-(3-methyl-2H-indazol-5-yl)-2,3-dihydro-1H-isoindole-4-carboxamide
CID 163805680
N-[2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide
CID 163763298
3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoic acid
CID 3369154

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(3-methylphenyl)ethyl]-3-(7-methoxy-1H-isoindol-5-yl)benzamide?
The IUPAC name of N-[2-amino-1-(3-methylphenyl)ethyl]-3-(7-methoxy-1H-isoindol-5-yl)benzamide (CID 163680039) is N-[2-amino-1-(3-methylphenyl)ethyl]-3-(7-methoxy-1H-isoindol-5-yl)benzamide.
What is the SMILES notation for N-[2-amino-1-(3-methylphenyl)ethyl]-3-(7-methoxy-1H-isoindol-5-yl)benzamide?
The canonical SMILES for N-[2-amino-1-(3-methylphenyl)ethyl]-3-(7-methoxy-1H-isoindol-5-yl)benzamide is COc1cc(-c2cccc(C(=O)NC(CN)c3cccc(C)c3)c2)cc2c1CN=C2.
What is the InChIKey of N-[2-amino-1-(3-methylphenyl)ethyl]-3-(7-methoxy-1H-isoindol-5-yl)benzamide?
The InChIKey is HZEWFBQIONZDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-16-5-3-7-18(9-16)23(13-26)28-25(29)19-8-4-6-17(10-19)20-11-21-14-27-15-22(21)24(12-20)30-2/h3-12,14,23H,13,15,26H2,1-2H3,(H,28,29).
What are the key properties of N-[2-amino-1-(3-methylphenyl)ethyl]-3-(7-methoxy-1H-isoindol-5-yl)benzamide?
N-[2-amino-1-(3-methylphenyl)ethyl]-3-(7-methoxy-1H-isoindol-5-yl)benzamide has a molecular weight of 399.49 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-(3-methylphenyl)ethyl]-3-(7-methoxy-1H-isoindol-5-yl)benzamide is sourced from PubChem (CID 163680039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).