anisole;N-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]benzamide

C29H37N3O2 — CID 142932601

IUPACanisole;N-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]benzamide
SMILESCC(c1ccc(CCNC(=O)c2ccccc2)cc1)N1CCN(C)CC1.COc1ccccc1
InChIInChI=1S/C22H29N3O.C7H8O/c1-18(25-16-14-24(2)15-17-25)20-10-8-19(9-11-20)12-13-23-22(26)21-6-4-3-5-7-21;1-8-7-5-3-2-4-6-7/h3-11,18H,12-17H2,1-2H3,(H,23,26);2-6H,1H3
InChIKeyXUYVGAPRNACNCX-UHFFFAOYSA-N
MW459.63 g/mol
LogP4.66
Rot. Bonds7

About anisole;N-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]benzamide

anisole;N-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]benzamide (PubChem CID 142932601) has the molecular formula C29H37N3O2 and a molecular weight of 459.63 g/mol. Its IUPAC name is anisole;N-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]benzamide.

Molecular Properties

Compound Nameanisole;N-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]benzamide
PubChem CID142932601
Molecular FormulaC29H37N3O2
Molecular Weight459.63 g/mol
Exact Mass459.29
IUPAC Nameanisole;N-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]benzamide
SMILESCC(c1ccc(CCNC(=O)c2ccccc2)cc1)N1CCN(C)CC1.COc1ccccc1
InChIInChI=1S/C22H29N3O.C7H8O/c1-18(25-16-14-24(2)15-17-25)20-10-8-19(9-11-20)12-13-23-22(26)21-6-4-3-5-7-21;1-8-7-5-3-2-4-6-7/h3-11,18H,12-17H2,1-2H3,(H,23,26);2-6H,1H3
InChIKeyXUYVGAPRNACNCX-UHFFFAOYSA-N
XLogP4.66
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.63
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]-4-phenylmethoxybenzamide
CID 23090894
N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046103
N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-phenoxyacetamide
CID 30630276
4-benzamido-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 127163757
N-[2-(4-methoxyphenyl)ethyl]naphthalene-2-carboxamide
CID 1343397
N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide
CID 117087730
N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-methoxybenzamide
CID 30630679
(Z)-but-2-enedioic acid;1-[1-(4-methoxyphenyl)-3-phenylpropyl]-4-methylpiperazine
CID 20840186
N-[3-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide
CID 40898083
N-[2-(4-methoxyphenyl)ethylcarbamothioyl]benzamide
CID 4266550
4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916
N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 35961140

Frequently Asked Questions

What is the IUPAC name of anisole;N-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]benzamide?
The IUPAC name of anisole;N-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]benzamide (CID 142932601) is anisole;N-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]benzamide.
What is the SMILES notation for anisole;N-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]benzamide?
The canonical SMILES for anisole;N-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]benzamide is CC(c1ccc(CCNC(=O)c2ccccc2)cc1)N1CCN(C)CC1.COc1ccccc1.
What is the InChIKey of anisole;N-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]benzamide?
The InChIKey is XUYVGAPRNACNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O.C7H8O/c1-18(25-16-14-24(2)15-17-25)20-10-8-19(9-11-20)12-13-23-22(26)21-6-4-3-5-7-21;1-8-7-5-3-2-4-6-7/h3-11,18H,12-17H2,1-2H3,(H,23,26);2-6H,1H3.
What are the key properties of anisole;N-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]benzamide?
anisole;N-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]benzamide has a molecular weight of 459.63 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;N-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]benzamide is sourced from PubChem (CID 142932601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).