N-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]-4-phenylmethoxybenzamide

C29H35N3O2 — CID 23090894

IUPACN-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]-4-phenylmethoxybenzamide
SMILESCC(c1ccc(CCNC(=O)c2ccc(OCc3ccccc3)cc2)cc1)N1CCN(C)CC1
InChIInChI=1S/C29H35N3O2/c1-23(32-20-18-31(2)19-21-32)26-10-8-24(9-11-26)16-17-30-29(33)27-12-14-28(15-13-27)34-22-25-6-4-3-5-7-25/h3-15,23H,16-22H2,1-2H3,(H,30,33)
InChIKeyMOWUYKCFLBKPCX-UHFFFAOYSA-N
MW457.62 g/mol
LogP4.55
Rot. Bonds9

About N-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]-4-phenylmethoxybenzamide

N-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]-4-phenylmethoxybenzamide (PubChem CID 23090894) has the molecular formula C29H35N3O2 and a molecular weight of 457.62 g/mol. Its IUPAC name is N-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]-4-phenylmethoxybenzamide
PubChem CID23090894
Molecular FormulaC29H35N3O2
Molecular Weight457.62 g/mol
Exact Mass457.27
IUPAC NameN-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]-4-phenylmethoxybenzamide
SMILESCC(c1ccc(CCNC(=O)c2ccc(OCc3ccccc3)cc2)cc1)N1CCN(C)CC1
InChIInChI=1S/C29H35N3O2/c1-23(32-20-18-31(2)19-21-32)26-10-8-24(9-11-26)16-17-30-29(33)27-12-14-28(15-13-27)34-22-25-6-4-3-5-7-25/h3-15,23H,16-22H2,1-2H3,(H,30,33)
InChIKeyMOWUYKCFLBKPCX-UHFFFAOYSA-N
XLogP4.55
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

anisole;N-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]benzamide
CID 142932601
N-[2-(4-tert-butylphenyl)ethyl]-4-(4-phenylmethoxyphenyl)benzamide
CID 139904878
1-(2-methoxyethyl)-6-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 47062505
1-[1-(4-phenylmethoxyphenyl)ethyl]piperidin-4-one
CID 167714155
4-phenylmethoxy-N-propylbenzamide
CID 4958389
4-(2-methoxyethoxy)-N-(2-phenylethyl)benzamide
CID 15943281
N-(2-hydroxyethyl)-4-phenylmethoxybenzamide
CID 10825986
2-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide
CID 47043404
N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110788107
N-(2-aminoethyl)-4-phenylmethoxybenzamide
CID 13064036
methyl 3-[[4-[6-(4-phenylmethoxyphenoxy)hexyl]benzoyl]amino]propanoate
CID 67485483
N-(3-morpholin-4-ylpropyl)-4-phenylmethoxybenzamide
CID 17459626

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]-4-phenylmethoxybenzamide?
The IUPAC name of N-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]-4-phenylmethoxybenzamide (CID 23090894) is N-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]-4-phenylmethoxybenzamide?
The canonical SMILES for N-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]-4-phenylmethoxybenzamide is CC(c1ccc(CCNC(=O)c2ccc(OCc3ccccc3)cc2)cc1)N1CCN(C)CC1.
What is the InChIKey of N-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]-4-phenylmethoxybenzamide?
The InChIKey is MOWUYKCFLBKPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O2/c1-23(32-20-18-31(2)19-21-32)26-10-8-24(9-11-26)16-17-30-29(33)27-12-14-28(15-13-27)34-22-25-6-4-3-5-7-25/h3-15,23H,16-22H2,1-2H3,(H,30,33).
What are the key properties of N-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]-4-phenylmethoxybenzamide?
N-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]-4-phenylmethoxybenzamide has a molecular weight of 457.62 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]-4-phenylmethoxybenzamide is sourced from PubChem (CID 23090894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).