N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide;hydrochloride

C19H24ClN3O2 — CID 120886353

IUPACN-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)C(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C19H23N3O2.ClH/c20-12-14-22(13-11-16-7-3-1-4-8-16)18(23)15-21-19(24)17-9-5-2-6-10-17;/h1-10H,11-15,20H2,(H,21,24);1H
InChIKeyNXCUVEYVJGXNOA-UHFFFAOYSA-N
MW361.87 g/mol
LogP1.87
Rot. Bonds8

About N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide;hydrochloride

N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide;hydrochloride (PubChem CID 120886353) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide;hydrochloride
PubChem CID120886353
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC NameN-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)C(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C19H23N3O2.ClH/c20-12-14-22(13-11-16-7-3-1-4-8-16)18(23)15-21-19(24)17-9-5-2-6-10-17;/h1-10H,11-15,20H2,(H,21,24);1H
InChIKeyNXCUVEYVJGXNOA-UHFFFAOYSA-N
XLogP1.87
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 120886692
N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 120886842
N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride
CID 120886231
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886289
N-(2-aminoethyl)-3-(4-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120884337
N-(2-aminoethyl)-3,3,3-trifluoro-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886805
N-(2-aminoethyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 120885554
N-(2-aminoethyl)-2-(4-chlorophenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120887035
N-(2-aminoethyl)-4,4-dimethyl-N-(2-phenylethyl)pentanamide
CID 120886564
N-(2-aminoethyl)-2-ethoxy-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886517
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide;hydrochloride?
The IUPAC name of N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide;hydrochloride (CID 120886353) is N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide;hydrochloride.
What is the SMILES notation for N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide;hydrochloride?
The canonical SMILES for N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide;hydrochloride is Cl.NCCN(CCc1ccccc1)C(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide;hydrochloride?
The InChIKey is NXCUVEYVJGXNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.ClH/c20-12-14-22(13-11-16-7-3-1-4-8-16)18(23)15-21-19(24)17-9-5-2-6-10-17;/h1-10H,11-15,20H2,(H,21,24);1H.
What are the key properties of N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide;hydrochloride?
N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide;hydrochloride has a molecular weight of 361.87 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide;hydrochloride is sourced from PubChem (CID 120886353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).