N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methoxy-5-methylbenzamide

C23H31N3O2 — CID 55746600

IUPACN-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methoxy-5-methylbenzamide
SMILESCCN1CCN(Cc2ccc(CNC(=O)c3cc(C)ccc3OC)cc2)CC1
InChIInChI=1S/C23H31N3O2/c1-4-25-11-13-26(14-12-25)17-20-8-6-19(7-9-20)16-24-23(27)21-15-18(2)5-10-22(21)28-3/h5-10,15H,4,11-14,16-17H2,1-3H3,(H,24,27)
InChIKeyDQWVXZWBBPEVAD-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.07
Rot. Bonds7

About N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methoxy-5-methylbenzamide

N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methoxy-5-methylbenzamide (PubChem CID 55746600) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methoxy-5-methylbenzamide
PubChem CID55746600
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methoxy-5-methylbenzamide
SMILESCCN1CCN(Cc2ccc(CNC(=O)c3cc(C)ccc3OC)cc2)CC1
InChIInChI=1S/C23H31N3O2/c1-4-25-11-13-26(14-12-25)17-20-8-6-19(7-9-20)16-24-23(27)21-15-18(2)5-10-22(21)28-3/h5-10,15H,4,11-14,16-17H2,1-3H3,(H,24,27)
InChIKeyDQWVXZWBBPEVAD-UHFFFAOYSA-N
XLogP3.07
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-5-methylbenzamide
CID 9305214
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78900189
2-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17437691
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methoxy-5-methylbenzamide
CID 8590309
4-amino-5-chloro-2-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 119836255
N-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 6465919
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2,4-dimethylbenzamide
CID 55664564
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 47057135
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 7916782
2-(4-chloro-2-methylphenoxy)-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
CID 55729405
5-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
CID 86891532

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methoxy-5-methylbenzamide?
The IUPAC name of N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methoxy-5-methylbenzamide (CID 55746600) is N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methoxy-5-methylbenzamide is CCN1CCN(Cc2ccc(CNC(=O)c3cc(C)ccc3OC)cc2)CC1.
What is the InChIKey of N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methoxy-5-methylbenzamide?
The InChIKey is DQWVXZWBBPEVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-4-25-11-13-26(14-12-25)17-20-8-6-19(7-9-20)16-24-23(27)21-15-18(2)5-10-22(21)28-3/h5-10,15H,4,11-14,16-17H2,1-3H3,(H,24,27).
What are the key properties of N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methoxy-5-methylbenzamide?
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methoxy-5-methylbenzamide has a molecular weight of 381.52 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 55746600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).