N-(2-methyl-1,3-dihydroisoindol-5-yl)-4-(1-phenylethylcarbamoylamino)benzamide

C25H26N4O2 — CID 130447144

IUPACN-(2-methyl-1,3-dihydroisoindol-5-yl)-4-(1-phenylethylcarbamoylamino)benzamide
SMILESCC(NC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)CN(C)C3)cc1)c1ccccc1
InChIInChI=1S/C25H26N4O2/c1-17(18-6-4-3-5-7-18)26-25(31)28-22-11-8-19(9-12-22)24(30)27-23-13-10-20-15-29(2)16-21(20)14-23/h3-14,17H,15-16H2,1-2H3,(H,27,30)(H2,26,28,31)
InChIKeyUYYMOJMQVXHEDW-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.77
Rot. Bonds5

About N-(2-methyl-1,3-dihydroisoindol-5-yl)-4-(1-phenylethylcarbamoylamino)benzamide

N-(2-methyl-1,3-dihydroisoindol-5-yl)-4-(1-phenylethylcarbamoylamino)benzamide (PubChem CID 130447144) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-(2-methyl-1,3-dihydroisoindol-5-yl)-4-(1-phenylethylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-dihydroisoindol-5-yl)-4-(1-phenylethylcarbamoylamino)benzamide
PubChem CID130447144
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-(2-methyl-1,3-dihydroisoindol-5-yl)-4-(1-phenylethylcarbamoylamino)benzamide
SMILESCC(NC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)CN(C)C3)cc1)c1ccccc1
InChIInChI=1S/C25H26N4O2/c1-17(18-6-4-3-5-7-18)26-25(31)28-22-11-8-19(9-12-22)24(30)27-23-13-10-20-15-29(2)16-21(20)14-23/h3-14,17H,15-16H2,1-2H3,(H,27,30)(H2,26,28,31)
InChIKeyUYYMOJMQVXHEDW-UHFFFAOYSA-N
XLogP4.77
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzamido-N-(1-phenylethyl)benzamide
CID 17153199
1-naphthalen-2-yl-3-(1-phenylethyl)urea
CID 78400043
1-[4-[(4-fluoro-2,4-dimethyl-1,3-dihydroisoquinolin-6-yl)methylsulfonyl]phenyl]-3-(1-phenylethyl)urea
CID 167264008
4-acetamido-N-(1-phenylethyl)benzamide
CID 2841785
1-[(1S)-1-phenylethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 52592652
4-bromo-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 22597703
N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)benzamide
CID 110461592
1-(3-fluoro-4-methylphenyl)-3-(1-phenylethyl)urea
CID 17087618
2-hydroxy-N-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]benzamide
CID 42578583
1-(4-bromo-3-methylphenyl)-3-(1-phenylethyl)urea
CID 47194369
4-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248478
5-benzamido-N-[(1S)-1-phenylethyl]-2-pyrrolidin-1-ylbenzamide
CID 1063350

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-dihydroisoindol-5-yl)-4-(1-phenylethylcarbamoylamino)benzamide?
The IUPAC name of N-(2-methyl-1,3-dihydroisoindol-5-yl)-4-(1-phenylethylcarbamoylamino)benzamide (CID 130447144) is N-(2-methyl-1,3-dihydroisoindol-5-yl)-4-(1-phenylethylcarbamoylamino)benzamide.
What is the SMILES notation for N-(2-methyl-1,3-dihydroisoindol-5-yl)-4-(1-phenylethylcarbamoylamino)benzamide?
The canonical SMILES for N-(2-methyl-1,3-dihydroisoindol-5-yl)-4-(1-phenylethylcarbamoylamino)benzamide is CC(NC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)CN(C)C3)cc1)c1ccccc1.
What is the InChIKey of N-(2-methyl-1,3-dihydroisoindol-5-yl)-4-(1-phenylethylcarbamoylamino)benzamide?
The InChIKey is UYYMOJMQVXHEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-17(18-6-4-3-5-7-18)26-25(31)28-22-11-8-19(9-12-22)24(30)27-23-13-10-20-15-29(2)16-21(20)14-23/h3-14,17H,15-16H2,1-2H3,(H,27,30)(H2,26,28,31).
What are the key properties of N-(2-methyl-1,3-dihydroisoindol-5-yl)-4-(1-phenylethylcarbamoylamino)benzamide?
N-(2-methyl-1,3-dihydroisoindol-5-yl)-4-(1-phenylethylcarbamoylamino)benzamide has a molecular weight of 414.51 g/mol, XLogP of 4.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-dihydroisoindol-5-yl)-4-(1-phenylethylcarbamoylamino)benzamide is sourced from PubChem (CID 130447144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).