N-(2-aminoethyl)-N-(2-phenylethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride

C18H27ClN4O2 — CID 120886811

IUPACN-(2-aminoethyl)-N-(2-phenylethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
SMILESCC(C)c1noc(CCC(=O)N(CCN)CCc2ccccc2)n1.Cl
InChIInChI=1S/C18H26N4O2.ClH/c1-14(2)18-20-16(24-21-18)8-9-17(23)22(13-11-19)12-10-15-6-4-3-5-7-15;/h3-7,14H,8-13,19H2,1-2H3;1H
InChIKeyDHBHOTZWBBOGLE-UHFFFAOYSA-N
MW366.89 g/mol
LogP2.58
Rot. Bonds9

About N-(2-aminoethyl)-N-(2-phenylethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride

N-(2-aminoethyl)-N-(2-phenylethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride (PubChem CID 120886811) has the molecular formula C18H27ClN4O2 and a molecular weight of 366.89 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2-phenylethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2-phenylethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
PubChem CID120886811
Molecular FormulaC18H27ClN4O2
Molecular Weight366.89 g/mol
Exact Mass366.18
IUPAC NameN-(2-aminoethyl)-N-(2-phenylethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
SMILESCC(C)c1noc(CCC(=O)N(CCN)CCc2ccccc2)n1.Cl
InChIInChI=1S/C18H26N4O2.ClH/c1-14(2)18-20-16(24-21-18)8-9-17(23)22(13-11-19)12-10-15-6-4-3-5-7-15;/h3-7,14H,8-13,19H2,1-2H3;1H
InChIKeyDHBHOTZWBBOGLE-UHFFFAOYSA-N
XLogP2.58
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylethyl)propanamide;dihydrochloride
CID 120886931
N-(2-aminoethyl)-3-(4-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120884337
N-(2-aminoethyl)-N-(2-phenylethyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 120885211
N-(2-aminoethyl)-4,4-dimethyl-N-(2-phenylethyl)pentanamide
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N-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886289
N-(2-aminoethyl)-3-phenyl-N-propylpropanamide
CID 61348391
N-(2-aminoethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)propanamide;dihydrochloride
CID 120886717
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(2-aminoethyl)-3-(1-benzofuran-2-yl)-N-(2-phenylethyl)propanamide
CID 120885666
N-(2-aminoethyl)-3-(2-fluorophenyl)-N-(2-phenylethyl)butanamide
CID 120885216
N-(2-aminoethyl)-N-butyl-4-phenylbutanamide
CID 63754072
N-(2-aminoethyl)-3-(4-bromothiophen-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886615

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride (CID 120886811) is N-(2-aminoethyl)-N-(2-phenylethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-N-(2-phenylethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-N-(2-phenylethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride is CC(C)c1noc(CCC(=O)N(CCN)CCc2ccccc2)n1.Cl.
What is the InChIKey of N-(2-aminoethyl)-N-(2-phenylethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride?
The InChIKey is DHBHOTZWBBOGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.ClH/c1-14(2)18-20-16(24-21-18)8-9-17(23)22(13-11-19)12-10-15-6-4-3-5-7-15;/h3-7,14H,8-13,19H2,1-2H3;1H.
What are the key properties of N-(2-aminoethyl)-N-(2-phenylethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride?
N-(2-aminoethyl)-N-(2-phenylethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride has a molecular weight of 366.89 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2-phenylethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride is sourced from PubChem (CID 120886811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).