N-(3-amino-3-oxopropyl)-2-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide

C22H26N2O3 — CID 54789701

IUPACN-(3-amino-3-oxopropyl)-2-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide
SMILESC=C(C)COc1ccccc1C(=O)N(CCC(N)=O)CCc1ccccc1
InChIInChI=1S/C22H26N2O3/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/h3-11H,1,12-16H2,2H3,(H2,23,25)
InChIKeyHNYOLHVUHLQOJA-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.20
Rot. Bonds10

About N-(3-amino-3-oxopropyl)-2-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide

N-(3-amino-3-oxopropyl)-2-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide (PubChem CID 54789701) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-2-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-2-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide
PubChem CID54789701
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-(3-amino-3-oxopropyl)-2-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide
SMILESC=C(C)COc1ccccc1C(=O)N(CCC(N)=O)CCc1ccccc1
InChIInChI=1S/C22H26N2O3/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/h3-11H,1,12-16H2,2H3,(H2,23,25)
InChIKeyHNYOLHVUHLQOJA-UHFFFAOYSA-N
XLogP3.20
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-3-oxopropyl)-2-(2-methylpropoxy)-N-(2-phenylethyl)benzamide
CID 54789698
N-(3-amino-3-oxopropyl)-5-bromo-2-ethoxy-N-(2-phenylethyl)benzamide
CID 54789789
N-(3-amino-3-oxopropyl)-2-nitro-N-(2-phenylethyl)benzamide
CID 54790194
N-(3-amino-3-oxopropyl)-5-bromo-N-(2-phenylethyl)-2-propan-2-yloxybenzamide
CID 54789497
N-(3-amino-3-oxopropyl)-4-(2-phenoxyethoxy)-N-(2-phenylethyl)benzamide
CID 54789845
N-(2-cyanoethyl)-N-(2-phenylethyl)-2-phenylmethoxybenzamide
CID 54790711
N-(3-amino-3-oxopropyl)-2-(2-methylphenoxy)-N-(2-phenylethyl)propanamide
CID 54790094
2-(2-methylprop-2-enoxy)-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131528
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
N-(3-amino-3-oxopropyl)-5-ethyl-4-methyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
CID 74236543

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-2-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-2-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide (CID 54789701) is N-(3-amino-3-oxopropyl)-2-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-2-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-2-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide is C=C(C)COc1ccccc1C(=O)N(CCC(N)=O)CCc1ccccc1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-2-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide?
The InChIKey is HNYOLHVUHLQOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/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/h3-11H,1,12-16H2,2H3,(H2,23,25).
What are the key properties of N-(3-amino-3-oxopropyl)-2-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide?
N-(3-amino-3-oxopropyl)-2-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide has a molecular weight of 366.46 g/mol, XLogP of 3.20, 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-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 54789701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).