1-(diethylamino)propan-2-yl 2-(4-methoxyphenyl)-2-phenylacetate;hydrochloride

C22H30ClNO3 — CID 138399990

IUPAC1-(diethylamino)propan-2-yl 2-(4-methoxyphenyl)-2-phenylacetate;hydrochloride
SMILESCCN(CC)CC(C)OC(=O)C(c1ccccc1)c1ccc(OC)cc1.Cl
InChIInChI=1S/C22H29NO3.ClH/c1-5-23(6-2)16-17(3)26-22(24)21(18-10-8-7-9-11-18)19-12-14-20(25-4)15-13-19;/h7-15,17,21H,5-6,16H2,1-4H3;1H
InChIKeyBZAMBFZFZNCHQE-UHFFFAOYSA-N
MW391.94 g/mol
LogP4.52
Rot. Bonds9

About 1-(diethylamino)propan-2-yl 2-(4-methoxyphenyl)-2-phenylacetate;hydrochloride

1-(diethylamino)propan-2-yl 2-(4-methoxyphenyl)-2-phenylacetate;hydrochloride (PubChem CID 138399990) has the molecular formula C22H30ClNO3 and a molecular weight of 391.94 g/mol. Its IUPAC name is 1-(diethylamino)propan-2-yl 2-(4-methoxyphenyl)-2-phenylacetate;hydrochloride.

Molecular Properties

Compound Name1-(diethylamino)propan-2-yl 2-(4-methoxyphenyl)-2-phenylacetate;hydrochloride
PubChem CID138399990
Molecular FormulaC22H30ClNO3
Molecular Weight391.94 g/mol
Exact Mass391.19
IUPAC Name1-(diethylamino)propan-2-yl 2-(4-methoxyphenyl)-2-phenylacetate;hydrochloride
SMILESCCN(CC)CC(C)OC(=O)C(c1ccccc1)c1ccc(OC)cc1.Cl
InChIInChI=1S/C22H29NO3.ClH/c1-5-23(6-2)16-17(3)26-22(24)21(18-10-8-7-9-11-18)19-12-14-20(25-4)15-13-19;/h7-15,17,21H,5-6,16H2,1-4H3;1H
InChIKeyBZAMBFZFZNCHQE-UHFFFAOYSA-N
XLogP4.52
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.94
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(diethylamino)-1,3-dimethoxybutan-2-yl] 2,2-diphenylacetate;hydrochloride
CID 54598774
1-(diethylamino)ethyl 2,2-diphenylacetate
CID 23615531
N,N-diethyl-5-(4-methoxyphenyl)-5-phenylpent-2-yn-1-amine;oxalic acid
CID 2892779
[(2S)-2-(2,2-diphenylacetyl)oxypropyl]-trimethylazanium
CID 846537
[(2R)-2-(2,2-diphenylacetyl)oxypropyl]-trimethylazanium
CID 846538
butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 10016853
[(1R)-1-phenylethyl] 2,2-diphenylacetate
CID 11001611
N-methoxy-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 144913522
2-(diethylamino)ethyl 2,2-diphenylacetate;hydron;chloride
CID 657315
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 949191
N-[1-(4-methoxyphenyl)propyl]-2,2-diphenylacetamide
CID 55371775
1-piperidin-1-ium-1-ylpropan-2-yl 2,2-diphenylacetate
CID 4683134

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)propan-2-yl 2-(4-methoxyphenyl)-2-phenylacetate;hydrochloride?
The IUPAC name of 1-(diethylamino)propan-2-yl 2-(4-methoxyphenyl)-2-phenylacetate;hydrochloride (CID 138399990) is 1-(diethylamino)propan-2-yl 2-(4-methoxyphenyl)-2-phenylacetate;hydrochloride.
What is the SMILES notation for 1-(diethylamino)propan-2-yl 2-(4-methoxyphenyl)-2-phenylacetate;hydrochloride?
The canonical SMILES for 1-(diethylamino)propan-2-yl 2-(4-methoxyphenyl)-2-phenylacetate;hydrochloride is CCN(CC)CC(C)OC(=O)C(c1ccccc1)c1ccc(OC)cc1.Cl.
What is the InChIKey of 1-(diethylamino)propan-2-yl 2-(4-methoxyphenyl)-2-phenylacetate;hydrochloride?
The InChIKey is BZAMBFZFZNCHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3.ClH/c1-5-23(6-2)16-17(3)26-22(24)21(18-10-8-7-9-11-18)19-12-14-20(25-4)15-13-19;/h7-15,17,21H,5-6,16H2,1-4H3;1H.
What are the key properties of 1-(diethylamino)propan-2-yl 2-(4-methoxyphenyl)-2-phenylacetate;hydrochloride?
1-(diethylamino)propan-2-yl 2-(4-methoxyphenyl)-2-phenylacetate;hydrochloride has a molecular weight of 391.94 g/mol, XLogP of 4.52, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)propan-2-yl 2-(4-methoxyphenyl)-2-phenylacetate;hydrochloride is sourced from PubChem (CID 138399990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).