4-methyl-N-[2-[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propyl]benzamide

C24H30N4O2 — CID 45174095

IUPAC4-methyl-N-[2-[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propyl]benzamide
SMILESCc1ccc(C(=O)NCC(C)Oc2cccc(CN(C)Cc3cnn(C)c3)c2)cc1
InChIInChI=1S/C24H30N4O2/c1-18-8-10-22(11-9-18)24(29)25-13-19(2)30-23-7-5-6-20(12-23)15-27(3)16-21-14-26-28(4)17-21/h5-12,14,17,19H,13,15-16H2,1-4H3,(H,25,29)
InChIKeyVPTDDOBAKURZHH-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.56
Rot. Bonds9

About 4-methyl-N-[2-[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propyl]benzamide

4-methyl-N-[2-[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propyl]benzamide (PubChem CID 45174095) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 4-methyl-N-[2-[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propyl]benzamide
PubChem CID45174095
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name4-methyl-N-[2-[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propyl]benzamide
SMILESCc1ccc(C(=O)NCC(C)Oc2cccc(CN(C)Cc3cnn(C)c3)c2)cc1
InChIInChI=1S/C24H30N4O2/c1-18-8-10-22(11-9-18)24(29)25-13-19(2)30-23-7-5-6-20(12-23)15-27(3)16-21-14-26-28(4)17-21/h5-12,14,17,19H,13,15-16H2,1-4H3,(H,25,29)
InChIKeyVPTDDOBAKURZHH-UHFFFAOYSA-N
XLogP3.56
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(3-fluorophenoxy)propyl]-1,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111503486
[(3R)-3-[[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]methyl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 42162569
4-methyl-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]benzamide
CID 118756279
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one
CID 62035251
3-[(1-methylpyrazol-4-yl)amino]-N-(2-phenoxypropyl)benzamide
CID 71914773
3-methoxy-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]benzamide
CID 45253226
4-(aminomethyl)-N-[2-(3-methylphenoxy)propyl]benzamide;hydrochloride
CID 119335746
N-[2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 118755066
N-[2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 118758041
N-[(2R)-2-[3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]propyl]furan-2-carboxamide
CID 42499806
2-methyl-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]-1,3-thiazole-4-carboxamide
CID 45195426
N-(2,6-difluorophenyl)-3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide
CID 50959414

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propyl]benzamide?
The IUPAC name of 4-methyl-N-[2-[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propyl]benzamide (CID 45174095) is 4-methyl-N-[2-[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propyl]benzamide is Cc1ccc(C(=O)NCC(C)Oc2cccc(CN(C)Cc3cnn(C)c3)c2)cc1.
What is the InChIKey of 4-methyl-N-[2-[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propyl]benzamide?
The InChIKey is VPTDDOBAKURZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-18-8-10-22(11-9-18)24(29)25-13-19(2)30-23-7-5-6-20(12-23)15-27(3)16-21-14-26-28(4)17-21/h5-12,14,17,19H,13,15-16H2,1-4H3,(H,25,29).
What are the key properties of 4-methyl-N-[2-[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propyl]benzamide?
4-methyl-N-[2-[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propyl]benzamide has a molecular weight of 406.53 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propyl]benzamide is sourced from PubChem (CID 45174095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).