4-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]benzamide

C18H22N2O3 — CID 109415224

IUPAC4-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]benzamide
SMILESCN(Cc1ccccc1)CC(O)COc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H22N2O3/c1-20(11-14-5-3-2-4-6-14)12-16(21)13-23-17-9-7-15(8-10-17)18(19)22/h2-10,16,21H,11-13H2,1H3,(H2,19,22)
InChIKeyQCSIFECFFKENRD-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.66
Rot. Bonds8

About 4-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]benzamide

4-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]benzamide (PubChem CID 109415224) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]benzamide.

Molecular Properties

Compound Name4-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]benzamide
PubChem CID109415224
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name4-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]benzamide
SMILESCN(Cc1ccccc1)CC(O)COc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H22N2O3/c1-20(11-14-5-3-2-4-6-14)12-16(21)13-23-17-9-7-15(8-10-17)18(19)22/h2-10,16,21H,11-13H2,1H3,(H2,19,22)
InChIKeyQCSIFECFFKENRD-UHFFFAOYSA-N
XLogP1.66
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 110877486
1-[benzyl(methyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 166193938
1-[4-[3-(dibenzylamino)-2-hydroxypropoxy]phenyl]ethanone
CID 55361614
(2R)-1-[benzyl(methyl)amino]-3-[4-[[(4-fluorophenyl)methylamino]methyl]phenoxy]propan-2-ol
CID 26323939
(2S)-1-[benzyl(methyl)amino]-3-[4-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]phenoxy]propan-2-ol
CID 42342616
1-[benzyl(methyl)amino]-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol
CID 109414479
ethyl 4-[(2S)-2-hydroxy-3-[(3-methoxyphenyl)methyl-methylamino]propoxy]benzoate
CID 41119766
ethyl 4-[2-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]propoxy]benzoate
CID 42926568
1-[(4-fluorophenyl)methyl-methylamino]-3-(4-phenyldiazenylphenoxy)propan-2-ol
CID 175691841
4-[2-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]tetrazol-5-yl]benzamide
CID 52503296
4-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]-2-fluorobenzonitrile
CID 109415963
1-[benzyl(methyl)amino]-3-[4-[(4-fluoropiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 72897099

Frequently Asked Questions

What is the IUPAC name of 4-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]benzamide?
The IUPAC name of 4-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]benzamide (CID 109415224) is 4-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]benzamide.
What is the SMILES notation for 4-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]benzamide?
The canonical SMILES for 4-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]benzamide is CN(Cc1ccccc1)CC(O)COc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]benzamide?
The InChIKey is QCSIFECFFKENRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-20(11-14-5-3-2-4-6-14)12-16(21)13-23-17-9-7-15(8-10-17)18(19)22/h2-10,16,21H,11-13H2,1H3,(H2,19,22).
What are the key properties of 4-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]benzamide?
4-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]benzamide has a molecular weight of 314.39 g/mol, XLogP of 1.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]benzamide is sourced from PubChem (CID 109415224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).