N-(2-aminoethyl)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylethyl)propanamide;dihydrochloride

C20H25Cl2N3O2 — CID 120886931

IUPACN-(2-aminoethyl)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylethyl)propanamide;dihydrochloride
SMILESCl.Cl.NCCN(CCc1ccccc1)C(=O)CCc1nc2ccccc2o1
InChIInChI=1S/C20H23N3O2.2ClH/c21-13-15-23(14-12-16-6-2-1-3-7-16)20(24)11-10-19-22-17-8-4-5-9-18(17)25-19;;/h1-9H,10-15,21H2;2*1H
InChIKeyFUVJBOUKEXNIPP-UHFFFAOYSA-N
MW410.35 g/mol
LogP3.63
Rot. Bonds8

About N-(2-aminoethyl)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylethyl)propanamide;dihydrochloride

N-(2-aminoethyl)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylethyl)propanamide;dihydrochloride (PubChem CID 120886931) has the molecular formula C20H25Cl2N3O2 and a molecular weight of 410.35 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylethyl)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylethyl)propanamide;dihydrochloride
PubChem CID120886931
Molecular FormulaC20H25Cl2N3O2
Molecular Weight410.35 g/mol
Exact Mass409.13
IUPAC NameN-(2-aminoethyl)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylethyl)propanamide;dihydrochloride
SMILESCl.Cl.NCCN(CCc1ccccc1)C(=O)CCc1nc2ccccc2o1
InChIInChI=1S/C20H23N3O2.2ClH/c21-13-15-23(14-12-16-6-2-1-3-7-16)20(24)11-10-19-22-17-8-4-5-9-18(17)25-19;;/h1-9H,10-15,21H2;2*1H
InChIKeyFUVJBOUKEXNIPP-UHFFFAOYSA-N
XLogP3.63
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-N-(2-phenylethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
CID 120886811
N-(2-aminoethyl)-3-(1-benzofuran-2-yl)-N-(2-phenylethyl)propanamide
CID 120885666
N-(2-aminoethyl)-N-(2-phenylethyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 120885211
N-(2-aminoethyl)-3-(4-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120884337
3-(1,3-benzoxazol-2-yl)propanoic acid
CID 2474218
N-(2-aminoethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)propanamide;dihydrochloride
CID 120886717
N-(2-aminoethyl)-4,4-dimethyl-N-(2-phenylethyl)pentanamide
CID 120886564
N-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886289
4-[3-(1,3-benzoxazol-2-yl)propanoyl-methylamino]butanoic acid
CID 119172919
N-(2-aminoethyl)-3-(4-bromothiophen-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886615
N-(2-aminoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886319
N-(2-aminoethyl)-3-phenyl-N-propylpropanamide
CID 61348391

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylethyl)propanamide;dihydrochloride?
The IUPAC name of N-(2-aminoethyl)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylethyl)propanamide;dihydrochloride (CID 120886931) is N-(2-aminoethyl)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylethyl)propanamide;dihydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylethyl)propanamide;dihydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylethyl)propanamide;dihydrochloride is Cl.Cl.NCCN(CCc1ccccc1)C(=O)CCc1nc2ccccc2o1.
What is the InChIKey of N-(2-aminoethyl)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylethyl)propanamide;dihydrochloride?
The InChIKey is FUVJBOUKEXNIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2.2ClH/c21-13-15-23(14-12-16-6-2-1-3-7-16)20(24)11-10-19-22-17-8-4-5-9-18(17)25-19;;/h1-9H,10-15,21H2;2*1H.
What are the key properties of N-(2-aminoethyl)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylethyl)propanamide;dihydrochloride?
N-(2-aminoethyl)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylethyl)propanamide;dihydrochloride has a molecular weight of 410.35 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylethyl)propanamide;dihydrochloride is sourced from PubChem (CID 120886931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).