2-[benzyl(2,2-dimethoxyethyl)amino]-1-phenylpropan-1-one

C20H25NO3 — CID 135064782

IUPAC2-[benzyl(2,2-dimethoxyethyl)amino]-1-phenylpropan-1-one
SMILESCOC(CN(Cc1ccccc1)C(C)C(=O)c1ccccc1)OC
InChIInChI=1S/C20H25NO3/c1-16(20(22)18-12-8-5-9-13-18)21(15-19(23-2)24-3)14-17-10-6-4-7-11-17/h4-13,16,19H,14-15H2,1-3H3
InChIKeyYDNOSPIPDVFLDN-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.38
Rot. Bonds9

About 2-[benzyl(2,2-dimethoxyethyl)amino]-1-phenylpropan-1-one

2-[benzyl(2,2-dimethoxyethyl)amino]-1-phenylpropan-1-one (PubChem CID 135064782) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-[benzyl(2,2-dimethoxyethyl)amino]-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-[benzyl(2,2-dimethoxyethyl)amino]-1-phenylpropan-1-one
PubChem CID135064782
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name2-[benzyl(2,2-dimethoxyethyl)amino]-1-phenylpropan-1-one
SMILESCOC(CN(Cc1ccccc1)C(C)C(=O)c1ccccc1)OC
InChIInChI=1S/C20H25NO3/c1-16(20(22)18-12-8-5-9-13-18)21(15-19(23-2)24-3)14-17-10-6-4-7-11-17/h4-13,16,19H,14-15H2,1-3H3
InChIKeyYDNOSPIPDVFLDN-UHFFFAOYSA-N
XLogP3.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Alpha-D2PV
CID 33957
1-benzoyl-2-benzyl-1,2-dihydropyridin-3(6H)-one
CID 16037828
2-(Morpholin-4-yl)-1,3-diphenylpropan-1-one
CID 234548
3-[Benzyl(propan-2-yl)amino]-1-phenylpropan-1-one
CID 46232282
Acetophenone, 2-morpholino-2-phenyl-, hydrochloride
CID 33954
CID 234165
CID 234165
Benzyl-dimethyl-phenacylazanium
CID 2132836
3-[Benzyl(2-hydroxyethyl)amino]-1-phenylpropan-1-one
CID 46232284
2-(Dimethylamino)-1,2-diphenylethanone
CID 15409
2-Morpholin-4-yl-1,2-diphenylethanone
CID 33955
Quantacure ABQ
CID 22062597
(2S,3S)-2-methyl-3-morpholin-4-yl-1,3-diphenylpropan-1-one
CID 3246488

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(2,2-dimethoxyethyl)amino]-1-phenylpropan-1-one?
The IUPAC name of 2-[benzyl(2,2-dimethoxyethyl)amino]-1-phenylpropan-1-one (CID 135064782) is 2-[benzyl(2,2-dimethoxyethyl)amino]-1-phenylpropan-1-one.
What is the SMILES notation for 2-[benzyl(2,2-dimethoxyethyl)amino]-1-phenylpropan-1-one?
The canonical SMILES for 2-[benzyl(2,2-dimethoxyethyl)amino]-1-phenylpropan-1-one is COC(CN(Cc1ccccc1)C(C)C(=O)c1ccccc1)OC.
What is the InChIKey of 2-[benzyl(2,2-dimethoxyethyl)amino]-1-phenylpropan-1-one?
The InChIKey is YDNOSPIPDVFLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-16(20(22)18-12-8-5-9-13-18)21(15-19(23-2)24-3)14-17-10-6-4-7-11-17/h4-13,16,19H,14-15H2,1-3H3.
What are the key properties of 2-[benzyl(2,2-dimethoxyethyl)amino]-1-phenylpropan-1-one?
2-[benzyl(2,2-dimethoxyethyl)amino]-1-phenylpropan-1-one has a molecular weight of 327.42 g/mol, XLogP of 3.38, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(2,2-dimethoxyethyl)amino]-1-phenylpropan-1-one is sourced from PubChem (CID 135064782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).