N-(3-amino-3-oxopropyl)-2-(2-methylpropoxy)-N-(2-phenylethyl)benzamide

C22H28N2O3 — CID 54789698

IUPACN-(3-amino-3-oxopropyl)-2-(2-methylpropoxy)-N-(2-phenylethyl)benzamide
SMILESCC(C)COc1ccccc1C(=O)N(CCC(N)=O)CCc1ccccc1
InChIInChI=1S/C22H28N2O3/c1-17(2)16-27-20-11-7-6-10-19(20)22(26)24(15-13-21(23)25)14-12-18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3,(H2,23,25)
InChIKeyNRIHXWGOMRRGCS-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.28
Rot. Bonds10

About N-(3-amino-3-oxopropyl)-2-(2-methylpropoxy)-N-(2-phenylethyl)benzamide

N-(3-amino-3-oxopropyl)-2-(2-methylpropoxy)-N-(2-phenylethyl)benzamide (PubChem CID 54789698) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-2-(2-methylpropoxy)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-2-(2-methylpropoxy)-N-(2-phenylethyl)benzamide
PubChem CID54789698
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-(3-amino-3-oxopropyl)-2-(2-methylpropoxy)-N-(2-phenylethyl)benzamide
SMILESCC(C)COc1ccccc1C(=O)N(CCC(N)=O)CCc1ccccc1
InChIInChI=1S/C22H28N2O3/c1-17(2)16-27-20-11-7-6-10-19(20)22(26)24(15-13-21(23)25)14-12-18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3,(H2,23,25)
InChIKeyNRIHXWGOMRRGCS-UHFFFAOYSA-N
XLogP3.28
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-3-oxopropyl)-2-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide
CID 54789701
N-(3-amino-3-oxopropyl)-5-bromo-2-ethoxy-N-(2-phenylethyl)benzamide
CID 54789789
N-(3-amino-3-oxopropyl)-5-bromo-N-(2-phenylethyl)-2-propan-2-yloxybenzamide
CID 54789497
N-(3-amino-3-oxopropyl)-2-nitro-N-(2-phenylethyl)benzamide
CID 54790194
N-(3-amino-3-oxopropyl)-2-(2-methylphenoxy)-N-(2-phenylethyl)propanamide
CID 54790094
N-(3-amino-3-oxopropyl)-4-(2-phenoxyethoxy)-N-(2-phenylethyl)benzamide
CID 54789845
N-(2-cyanoethyl)-N-(2-phenylethyl)-2-phenylmethoxybenzamide
CID 54790711
2-(2-methylpropoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide
CID 17233576
N-(3-amino-3-oxopropyl)-N-(2-phenylethyl)-3-propoxybenzamide
CID 54789581
2-ethoxy-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084459
N',N'-bis(2-phenylethyl)butanediamide
CID 70184693
3-[2-(2-methylpropoxy)phenyl]propanoic acid
CID 82161462

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-2-(2-methylpropoxy)-N-(2-phenylethyl)benzamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-2-(2-methylpropoxy)-N-(2-phenylethyl)benzamide (CID 54789698) is N-(3-amino-3-oxopropyl)-2-(2-methylpropoxy)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-2-(2-methylpropoxy)-N-(2-phenylethyl)benzamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-2-(2-methylpropoxy)-N-(2-phenylethyl)benzamide is CC(C)COc1ccccc1C(=O)N(CCC(N)=O)CCc1ccccc1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-2-(2-methylpropoxy)-N-(2-phenylethyl)benzamide?
The InChIKey is NRIHXWGOMRRGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-17(2)16-27-20-11-7-6-10-19(20)22(26)24(15-13-21(23)25)14-12-18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3,(H2,23,25).
What are the key properties of N-(3-amino-3-oxopropyl)-2-(2-methylpropoxy)-N-(2-phenylethyl)benzamide?
N-(3-amino-3-oxopropyl)-2-(2-methylpropoxy)-N-(2-phenylethyl)benzamide has a molecular weight of 368.48 g/mol, XLogP of 3.28, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-2-(2-methylpropoxy)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 54789698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).