[4-(diethylamino)-1,3-dimethoxybutan-2-yl] 2,2-diphenylacetate;hydrochloride

C24H34ClNO4 — CID 54598774

IUPAC[4-(diethylamino)-1,3-dimethoxybutan-2-yl] 2,2-diphenylacetate;hydrochloride
SMILESCCN(CC)CC(OC)C(COC)OC(=O)C(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C24H33NO4.ClH/c1-5-25(6-2)17-21(28-4)22(18-27-3)29-24(26)23(19-13-9-7-10-14-19)20-15-11-8-12-16-20;/h7-16,21-23H,5-6,17-18H2,1-4H3;1H
InChIKeyPQSSDCTXKTXURH-UHFFFAOYSA-N
MW435.99 g/mol
LogP4.16
Rot. Bonds12

About [4-(diethylamino)-1,3-dimethoxybutan-2-yl] 2,2-diphenylacetate;hydrochloride

[4-(diethylamino)-1,3-dimethoxybutan-2-yl] 2,2-diphenylacetate;hydrochloride (PubChem CID 54598774) has the molecular formula C24H34ClNO4 and a molecular weight of 435.99 g/mol. Its IUPAC name is [4-(diethylamino)-1,3-dimethoxybutan-2-yl] 2,2-diphenylacetate;hydrochloride.

Molecular Properties

Compound Name[4-(diethylamino)-1,3-dimethoxybutan-2-yl] 2,2-diphenylacetate;hydrochloride
PubChem CID54598774
Molecular FormulaC24H34ClNO4
Molecular Weight435.99 g/mol
Exact Mass435.22
IUPAC Name[4-(diethylamino)-1,3-dimethoxybutan-2-yl] 2,2-diphenylacetate;hydrochloride
SMILESCCN(CC)CC(OC)C(COC)OC(=O)C(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C24H33NO4.ClH/c1-5-25(6-2)17-21(28-4)22(18-27-3)29-24(26)23(19-13-9-7-10-14-19)20-15-11-8-12-16-20;/h7-16,21-23H,5-6,17-18H2,1-4H3;1H
InChIKeyPQSSDCTXKTXURH-UHFFFAOYSA-N
XLogP4.16
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.99
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(diethylamino)propan-2-yl 2-(4-methoxyphenyl)-2-phenylacetate;hydrochloride
CID 138399990
1-(diethylamino)ethyl 2,2-diphenylacetate
CID 23615531
2-(diethylamino)ethyl 2,2-diphenylacetate;hydron;chloride
CID 657315
(2,2-diphenylacetyl)oxymethyl 2,2-diphenylacetate
CID 15332487
[2-(diethylamino)-1-phenylethyl] 2-phenylacetate;hydrochloride
CID 23615535
[(1R)-1-phenylethyl] 2,2-diphenylacetate
CID 11001611
(2R)-2-(2,2-diphenylacetyl)oxypentanoic acid
CID 66664989
bis[2-(diethylamino)ethyl] 2,3-diphenylbutanedioate
CID 3060795
2,3-dimethoxy-1-phenylpropan-1-one
CID 90073170
N',N'-diethyl-2-phenylpropane-1,3-diamine
CID 43532107
[2-(diethylamino)-1-phenylethyl] 2-phenoxyacetate;hydrochloride
CID 131700838
(2S)-2-amino-3-methoxy-1-phenylpropan-1-one
CID 68527964

Frequently Asked Questions

What is the IUPAC name of [4-(diethylamino)-1,3-dimethoxybutan-2-yl] 2,2-diphenylacetate;hydrochloride?
The IUPAC name of [4-(diethylamino)-1,3-dimethoxybutan-2-yl] 2,2-diphenylacetate;hydrochloride (CID 54598774) is [4-(diethylamino)-1,3-dimethoxybutan-2-yl] 2,2-diphenylacetate;hydrochloride.
What is the SMILES notation for [4-(diethylamino)-1,3-dimethoxybutan-2-yl] 2,2-diphenylacetate;hydrochloride?
The canonical SMILES for [4-(diethylamino)-1,3-dimethoxybutan-2-yl] 2,2-diphenylacetate;hydrochloride is CCN(CC)CC(OC)C(COC)OC(=O)C(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of [4-(diethylamino)-1,3-dimethoxybutan-2-yl] 2,2-diphenylacetate;hydrochloride?
The InChIKey is PQSSDCTXKTXURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO4.ClH/c1-5-25(6-2)17-21(28-4)22(18-27-3)29-24(26)23(19-13-9-7-10-14-19)20-15-11-8-12-16-20;/h7-16,21-23H,5-6,17-18H2,1-4H3;1H.
What are the key properties of [4-(diethylamino)-1,3-dimethoxybutan-2-yl] 2,2-diphenylacetate;hydrochloride?
[4-(diethylamino)-1,3-dimethoxybutan-2-yl] 2,2-diphenylacetate;hydrochloride has a molecular weight of 435.99 g/mol, XLogP of 4.16, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylamino)-1,3-dimethoxybutan-2-yl] 2,2-diphenylacetate;hydrochloride is sourced from PubChem (CID 54598774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).