N-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride

C19H30Cl2N4O — CID 120884813

IUPACN-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
SMILESCc1nn(C)c(C)c1CCC(=O)N(CCN)CCc1ccccc1.Cl.Cl
InChIInChI=1S/C19H28N4O.2ClH/c1-15-18(16(2)22(3)21-15)9-10-19(24)23(14-12-20)13-11-17-7-5-4-6-8-17;;/h4-8H,9-14,20H2,1-3H3;2*1H
InChIKeyMJJRPMCTEWMVLY-UHFFFAOYSA-N
MW401.38 g/mol
LogP2.84
Rot. Bonds8

About N-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride

N-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride (PubChem CID 120884813) has the molecular formula C19H30Cl2N4O and a molecular weight of 401.38 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
PubChem CID120884813
Molecular FormulaC19H30Cl2N4O
Molecular Weight401.38 g/mol
Exact Mass400.18
IUPAC NameN-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
SMILESCc1nn(C)c(C)c1CCC(=O)N(CCN)CCc1ccccc1.Cl.Cl
InChIInChI=1S/C19H28N4O.2ClH/c1-15-18(16(2)22(3)21-15)9-10-19(24)23(14-12-20)13-11-17-7-5-4-6-8-17;;/h4-8H,9-14,20H2,1-3H3;2*1H
InChIKeyMJJRPMCTEWMVLY-UHFFFAOYSA-N
XLogP2.84
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-3-(4-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120884337
N-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886289
N-(2-aminoethyl)-3-phenyl-N-propylpropanamide
CID 61348391
5-phenyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-2-one
CID 105093132
N-(2-aminoethyl)-2-(3-methyl-4-oxophthalazin-1-yl)-N-(2-phenylethyl)acetamide
CID 120886672
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(2-aminoethyl)-4,4-dimethyl-N-(2-phenylethyl)pentanamide
CID 120886564
N-(2-aminoethyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-phenylethyl)propanamide
CID 120884670
3-[(3,4-difluorophenyl)methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]propanoic acid
CID 119208001
N-(2-aminoethyl)-N-(2-phenylethyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 120885211
N-(2-aminoethyl)-1,3,6-trimethyl-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 120884432
N-(2-aminoethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)propanamide;dihydrochloride
CID 120886717

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride?
The IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride (CID 120884813) is N-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride?
The canonical SMILES for N-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride is Cc1nn(C)c(C)c1CCC(=O)N(CCN)CCc1ccccc1.Cl.Cl.
What is the InChIKey of N-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride?
The InChIKey is MJJRPMCTEWMVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O.2ClH/c1-15-18(16(2)22(3)21-15)9-10-19(24)23(14-12-20)13-11-17-7-5-4-6-8-17;;/h4-8H,9-14,20H2,1-3H3;2*1H.
What are the key properties of N-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride?
N-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride has a molecular weight of 401.38 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride is sourced from PubChem (CID 120884813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).