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

C26H27N3O2 — CID 163869699

IUPACN-[2-amino-1-(3-methylphenyl)ethyl]-2-methoxy-5-(3-methyl-1H-isoindol-5-yl)benzamide
SMILESCOc1ccc(-c2ccc3c(c2)C(C)=NC3)cc1C(=O)NC(CN)c1cccc(C)c1
InChIInChI=1S/C26H27N3O2/c1-16-5-4-6-20(11-16)24(14-27)29-26(30)23-13-19(9-10-25(23)31-3)18-7-8-21-15-28-17(2)22(21)12-18/h4-13,24H,14-15,27H2,1-3H3,(H,29,30)
InChIKeyZHVHNOAWVUTXBK-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.42
Rot. Bonds6

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

N-[2-amino-1-(3-methylphenyl)ethyl]-2-methoxy-5-(3-methyl-1H-isoindol-5-yl)benzamide (PubChem CID 163869699) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[2-amino-1-(3-methylphenyl)ethyl]-2-methoxy-5-(3-methyl-1H-isoindol-5-yl)benzamide.

Molecular Properties

Compound NameN-[2-amino-1-(3-methylphenyl)ethyl]-2-methoxy-5-(3-methyl-1H-isoindol-5-yl)benzamide
PubChem CID163869699
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC NameN-[2-amino-1-(3-methylphenyl)ethyl]-2-methoxy-5-(3-methyl-1H-isoindol-5-yl)benzamide
SMILESCOc1ccc(-c2ccc3c(c2)C(C)=NC3)cc1C(=O)NC(CN)c1cccc(C)c1
InChIInChI=1S/C26H27N3O2/c1-16-5-4-6-20(11-16)24(14-27)29-26(30)23-13-19(9-10-25(23)31-3)18-7-8-21-15-28-17(2)22(21)12-18/h4-13,24H,14-15,27H2,1-3H3,(H,29,30)
InChIKeyZHVHNOAWVUTXBK-UHFFFAOYSA-N
XLogP4.42
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-amino-1-(3-methylphenyl)ethyl]-2-methoxy-5-(3-methyl-1H-isoindol-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide
CID 163427499
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
3-(3-amino-1H-isoindol-5-yl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide
CID 163802313
N-[2-amino-2-methyl-1-(3-methylphenyl)propyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide
CID 163439112
N-[2-amino-1-(3-methylphenyl)ethyl]-3-(7-methoxy-1H-isoindol-5-yl)benzamide
CID 163680039
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-1-phenylethyl)-3-methoxypyridine-4-carboxamide
CID 105064640
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-amino-1-(3-methoxyphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide
CID 146209069
N-(2-amino-1-phenylethyl)-2-hydroxy-3-methoxybenzamide
CID 63753586
5-chloro-2-methoxy-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzamide
CID 121176252
5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide
CID 63184777

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(3-methylphenyl)ethyl]-2-methoxy-5-(3-methyl-1H-isoindol-5-yl)benzamide?
The IUPAC name of N-[2-amino-1-(3-methylphenyl)ethyl]-2-methoxy-5-(3-methyl-1H-isoindol-5-yl)benzamide (CID 163869699) is N-[2-amino-1-(3-methylphenyl)ethyl]-2-methoxy-5-(3-methyl-1H-isoindol-5-yl)benzamide.
What is the SMILES notation for N-[2-amino-1-(3-methylphenyl)ethyl]-2-methoxy-5-(3-methyl-1H-isoindol-5-yl)benzamide?
The canonical SMILES for N-[2-amino-1-(3-methylphenyl)ethyl]-2-methoxy-5-(3-methyl-1H-isoindol-5-yl)benzamide is COc1ccc(-c2ccc3c(c2)C(C)=NC3)cc1C(=O)NC(CN)c1cccc(C)c1.
What is the InChIKey of N-[2-amino-1-(3-methylphenyl)ethyl]-2-methoxy-5-(3-methyl-1H-isoindol-5-yl)benzamide?
The InChIKey is ZHVHNOAWVUTXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-16-5-4-6-20(11-16)24(14-27)29-26(30)23-13-19(9-10-25(23)31-3)18-7-8-21-15-28-17(2)22(21)12-18/h4-13,24H,14-15,27H2,1-3H3,(H,29,30).
What are the key properties of N-[2-amino-1-(3-methylphenyl)ethyl]-2-methoxy-5-(3-methyl-1H-isoindol-5-yl)benzamide?
N-[2-amino-1-(3-methylphenyl)ethyl]-2-methoxy-5-(3-methyl-1H-isoindol-5-yl)benzamide has a molecular weight of 413.52 g/mol, XLogP of 4.42, 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]-2-methoxy-5-(3-methyl-1H-isoindol-5-yl)benzamide is sourced from PubChem (CID 163869699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).