N-[(2S)-1-aminopropan-2-yl]-2-(diethylamino)-2-phenylacetamide;dihydrochloride

C15H27Cl2N3O — CID 120506976

IUPACN-[(2S)-1-aminopropan-2-yl]-2-(diethylamino)-2-phenylacetamide;dihydrochloride
SMILESCCN(CC)C(C(=O)N[C@@H](C)CN)c1ccccc1.Cl.Cl
InChIInChI=1S/C15H25N3O.2ClH/c1-4-18(5-2)14(13-9-7-6-8-10-13)15(19)17-12(3)11-16;;/h6-10,12,14H,4-5,11,16H2,1-3H3,(H,17,19);2*1H/t12-,14?;;/m0../s1
InChIKeyZWKNBKOCJWRXGX-MRWARIEHSA-N
MW336.31 g/mol
LogP2.38
Rot. Bonds7

About N-[(2S)-1-aminopropan-2-yl]-2-(diethylamino)-2-phenylacetamide;dihydrochloride

N-[(2S)-1-aminopropan-2-yl]-2-(diethylamino)-2-phenylacetamide;dihydrochloride (PubChem CID 120506976) has the molecular formula C15H27Cl2N3O and a molecular weight of 336.31 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-(diethylamino)-2-phenylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-(diethylamino)-2-phenylacetamide;dihydrochloride
PubChem CID120506976
Molecular FormulaC15H27Cl2N3O
Molecular Weight336.31 g/mol
Exact Mass335.15
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-(diethylamino)-2-phenylacetamide;dihydrochloride
SMILESCCN(CC)C(C(=O)N[C@@H](C)CN)c1ccccc1.Cl.Cl
InChIInChI=1S/C15H25N3O.2ClH/c1-4-18(5-2)14(13-9-7-6-8-10-13)15(19)17-12(3)11-16;;/h6-10,12,14H,4-5,11,16H2,1-3H3,(H,17,19);2*1H/t12-,14?;;/m0../s1
InChIKeyZWKNBKOCJWRXGX-MRWARIEHSA-N
XLogP2.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride
CID 66750067
N-butan-2-yl-2-(dimethylamino)-2-phenylacetamide
CID 110406838
2-[[2-(diethylamino)-2-phenylacetyl]-methylamino]propanoic acid
CID 119359290
N-[2-(aminomethyl)cyclopentyl]-2-(diethylamino)-2-phenylacetamide
CID 119602222
N-[(2S)-1-aminopropan-2-yl]-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride
CID 120506442
2-(diethylamino)-2-phenyl-N-[3-(1-phenylethoxy)propyl]acetamide
CID 56538597
3-amino-N-(1-hydroxypropan-2-yl)-2-phenylpropanamide
CID 62877991
2-(dipropylamino)-2-phenylacetohydrazide
CID 63569909
N-[(2S)-1-aminopropan-2-yl]-2-phenyl-2-thiomorpholin-4-ylacetamide;dihydrochloride
CID 120505334
2-propan-2-yloxyethyl 2-(diethylamino)-2-phenylacetate
CID 75420449
2-(diethylamino)-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 56538273
4-[[[2-(diethylamino)-2-phenylacetyl]amino]methyl]benzoic acid
CID 119353551

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(diethylamino)-2-phenylacetamide;dihydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(diethylamino)-2-phenylacetamide;dihydrochloride (CID 120506976) is N-[(2S)-1-aminopropan-2-yl]-2-(diethylamino)-2-phenylacetamide;dihydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-(diethylamino)-2-phenylacetamide;dihydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-(diethylamino)-2-phenylacetamide;dihydrochloride is CCN(CC)C(C(=O)N[C@@H](C)CN)c1ccccc1.Cl.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-(diethylamino)-2-phenylacetamide;dihydrochloride?
The InChIKey is ZWKNBKOCJWRXGX-MRWARIEHSA-N. The full InChI is InChI=1S/C15H25N3O.2ClH/c1-4-18(5-2)14(13-9-7-6-8-10-13)15(19)17-12(3)11-16;;/h6-10,12,14H,4-5,11,16H2,1-3H3,(H,17,19);2*1H/t12-,14?;;/m0../s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-(diethylamino)-2-phenylacetamide;dihydrochloride?
N-[(2S)-1-aminopropan-2-yl]-2-(diethylamino)-2-phenylacetamide;dihydrochloride has a molecular weight of 336.31 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-(diethylamino)-2-phenylacetamide;dihydrochloride is sourced from PubChem (CID 120506976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).