N-(2-aminoethyl)-2-[3-(4-propoxyphenyl)propanoylamino]benzamide

C21H27N3O3 — CID 120604283

IUPACN-(2-aminoethyl)-2-[3-(4-propoxyphenyl)propanoylamino]benzamide
SMILESCCCOc1ccc(CCC(=O)Nc2ccccc2C(=O)NCCN)cc1
InChIInChI=1S/C21H27N3O3/c1-2-15-27-17-10-7-16(8-11-17)9-12-20(25)24-19-6-4-3-5-18(19)21(26)23-14-13-22/h3-8,10-11H,2,9,12-15,22H2,1H3,(H,23,26)(H,24,25)
InChIKeyRDCFKEWIJYFJNI-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.74
Rot. Bonds10

About N-(2-aminoethyl)-2-[3-(4-propoxyphenyl)propanoylamino]benzamide

N-(2-aminoethyl)-2-[3-(4-propoxyphenyl)propanoylamino]benzamide (PubChem CID 120604283) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[3-(4-propoxyphenyl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[3-(4-propoxyphenyl)propanoylamino]benzamide
PubChem CID120604283
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-(2-aminoethyl)-2-[3-(4-propoxyphenyl)propanoylamino]benzamide
SMILESCCCOc1ccc(CCC(=O)Nc2ccccc2C(=O)NCCN)cc1
InChIInChI=1S/C21H27N3O3/c1-2-15-27-17-10-7-16(8-11-17)9-12-20(25)24-19-6-4-3-5-18(19)21(26)23-14-13-22/h3-8,10-11H,2,9,12-15,22H2,1H3,(H,23,26)(H,24,25)
InChIKeyRDCFKEWIJYFJNI-UHFFFAOYSA-N
XLogP2.74
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2-[3-(4-ethoxyphenyl)propanoylamino]benzamide
CID 120603849
N-(2-aminoethyl)-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]benzamide;hydrochloride
CID 120604454
N-butyl-2-[4-(4-chlorophenoxy)butanoylamino]benzamide
CID 21367326
N-(2-methoxyethyl)-2-(3-phenylpropanoylamino)benzamide
CID 2206654
N-(2-aminoethyl)-2-(4-ethoxybutanoylamino)benzamide
CID 107000016
N-(2-aminoethyl)-2-[[2-(butanoylamino)acetyl]amino]benzamide
CID 120603546
2-[3-(4-tert-butylphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 41455603
N-(2-aminoethyl)-2-[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]benzamide;hydrochloride
CID 120604472
methyl 2-[3-(4-ethoxyphenyl)propanoylamino]benzoate
CID 19225981
3-phenylpropyl 5-oxo-5-[2-(propylcarbamoyl)anilino]pentanoate
CID 4923911
N-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide
CID 120604437
2-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 46686812

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[3-(4-propoxyphenyl)propanoylamino]benzamide?
The IUPAC name of N-(2-aminoethyl)-2-[3-(4-propoxyphenyl)propanoylamino]benzamide (CID 120604283) is N-(2-aminoethyl)-2-[3-(4-propoxyphenyl)propanoylamino]benzamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[3-(4-propoxyphenyl)propanoylamino]benzamide?
The canonical SMILES for N-(2-aminoethyl)-2-[3-(4-propoxyphenyl)propanoylamino]benzamide is CCCOc1ccc(CCC(=O)Nc2ccccc2C(=O)NCCN)cc1.
What is the InChIKey of N-(2-aminoethyl)-2-[3-(4-propoxyphenyl)propanoylamino]benzamide?
The InChIKey is RDCFKEWIJYFJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-2-15-27-17-10-7-16(8-11-17)9-12-20(25)24-19-6-4-3-5-18(19)21(26)23-14-13-22/h3-8,10-11H,2,9,12-15,22H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-(2-aminoethyl)-2-[3-(4-propoxyphenyl)propanoylamino]benzamide?
N-(2-aminoethyl)-2-[3-(4-propoxyphenyl)propanoylamino]benzamide has a molecular weight of 369.47 g/mol, XLogP of 2.74, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[3-(4-propoxyphenyl)propanoylamino]benzamide is sourced from PubChem (CID 120604283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).