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

C24H24N4O2 — CID 163802313

IUPAC3-(3-amino-1H-isoindol-5-yl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc(C(CN)NC(=O)c2cccc(-c3ccc4c(c3)C(N)=NC4)c2)c1
InChIInChI=1S/C24H24N4O2/c1-30-20-7-3-5-17(11-20)22(13-25)28-24(29)18-6-2-4-15(10-18)16-8-9-19-14-27-23(26)21(19)12-16/h2-12,22H,13-14,25H2,1H3,(H2,26,27)(H,28,29)
InChIKeyNGAVNVLSZWFSGM-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.01
Rot. Bonds6

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

3-(3-amino-1H-isoindol-5-yl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide (PubChem CID 163802313) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3-(3-amino-1H-isoindol-5-yl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(3-amino-1H-isoindol-5-yl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide
PubChem CID163802313
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name3-(3-amino-1H-isoindol-5-yl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc(C(CN)NC(=O)c2cccc(-c3ccc4c(c3)C(N)=NC4)c2)c1
InChIInChI=1S/C24H24N4O2/c1-30-20-7-3-5-17(11-20)22(13-25)28-24(29)18-6-2-4-15(10-18)16-8-9-19-14-27-23(26)21(19)12-16/h2-12,22H,13-14,25H2,1H3,(H2,26,27)(H,28,29)
InChIKeyNGAVNVLSZWFSGM-UHFFFAOYSA-N
XLogP3.01
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-amino-3-methanimidoylphenyl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide
CID 146209145
N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide
CID 163427499
N-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)benzamide
CID 146209142
N-[2-amino-1-(3-methylphenyl)ethyl]-2-methoxy-5-(3-methyl-1H-isoindol-5-yl)benzamide
CID 163869699
N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-chlorobenzamide
CID 166366125
3-(3-fluoro-1H-isoindol-5-yl)-N-[1-(3-fluorophenyl)-2-hydroxyethyl]benzamide
CID 163678461
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-[(1S)-2-[(4-bromobenzoyl)amino]-1-(3-methoxyphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide
CID 167592556
N-[2-amino-2-methyl-1-(3-methylphenyl)propyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide
CID 163439112
3-[6-amino-5-(3-methoxyphenyl)-3-pyridinyl]-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 58238282
(1,3-dioxoisoindol-2-yl)methyl 3-benzamido-3-(3-methoxyphenyl)propanoate
CID 171980317

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1H-isoindol-5-yl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-(3-amino-1H-isoindol-5-yl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide (CID 163802313) is 3-(3-amino-1H-isoindol-5-yl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(3-amino-1H-isoindol-5-yl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-(3-amino-1H-isoindol-5-yl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide is COc1cccc(C(CN)NC(=O)c2cccc(-c3ccc4c(c3)C(N)=NC4)c2)c1.
What is the InChIKey of 3-(3-amino-1H-isoindol-5-yl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide?
The InChIKey is NGAVNVLSZWFSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-30-20-7-3-5-17(11-20)22(13-25)28-24(29)18-6-2-4-15(10-18)16-8-9-19-14-27-23(26)21(19)12-16/h2-12,22H,13-14,25H2,1H3,(H2,26,27)(H,28,29).
What are the key properties of 3-(3-amino-1H-isoindol-5-yl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide?
3-(3-amino-1H-isoindol-5-yl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide has a molecular weight of 400.48 g/mol, XLogP of 3.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1H-isoindol-5-yl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 163802313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).