N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-naphthalen-2-ylpropanamide

C26H31N3O2 — CID 71878336

IUPACN-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-naphthalen-2-ylpropanamide
SMILESCN1CCN(CCOc2ccccc2NC(=O)CCc2ccc3ccccc3c2)CC1
InChIInChI=1S/C26H31N3O2/c1-28-14-16-29(17-15-28)18-19-31-25-9-5-4-8-24(25)27-26(30)13-11-21-10-12-22-6-2-3-7-23(22)20-21/h2-10,12,20H,11,13-19H2,1H3,(H,27,30)
InChIKeyMZZQWSZJXIXOSN-UHFFFAOYSA-N
MW417.55 g/mol
LogP4.04
Rot. Bonds8

About N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-naphthalen-2-ylpropanamide

N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-naphthalen-2-ylpropanamide (PubChem CID 71878336) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-naphthalen-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-naphthalen-2-ylpropanamide
PubChem CID71878336
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC NameN-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-naphthalen-2-ylpropanamide
SMILESCN1CCN(CCOc2ccccc2NC(=O)CCc2ccc3ccccc3c2)CC1
InChIInChI=1S/C26H31N3O2/c1-28-14-16-29(17-15-28)18-19-31-25-9-5-4-8-24(25)27-26(30)13-11-21-10-12-22-6-2-3-7-23(22)20-21/h2-10,12,20H,11,13-19H2,1H3,(H,27,30)
InChIKeyMZZQWSZJXIXOSN-UHFFFAOYSA-N
XLogP4.04
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-butoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 19221044
N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]thiophene-3-carboxamide
CID 56782304
2-(4-methylpiperazin-1-yl)ethyl N-(2-heptoxyphenyl)carbamate
CID 24836479
N-(2-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 109017715
N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxamide
CID 166381252
4-[3-[2-(3-methoxypropoxy)anilino]-3-oxopropyl]benzoic acid
CID 119182274
N-(2-ethoxyphenyl)-2-(naphthalen-2-ylmethylsulfanyl)acetamide
CID 112769058
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2-propoxyphenyl)acetamide
CID 24585994
2,2-difluoro-2-(1-hydroxycyclopentyl)-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetamide
CID 154756269
N-methyl-3-naphthalen-2-ylpropanamide
CID 47293107
N-(2-ethoxyphenyl)-3-phenylpropanamide
CID 849126
N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 166210291

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-naphthalen-2-ylpropanamide?
The IUPAC name of N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-naphthalen-2-ylpropanamide (CID 71878336) is N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-naphthalen-2-ylpropanamide.
What is the SMILES notation for N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-naphthalen-2-ylpropanamide?
The canonical SMILES for N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-naphthalen-2-ylpropanamide is CN1CCN(CCOc2ccccc2NC(=O)CCc2ccc3ccccc3c2)CC1.
What is the InChIKey of N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-naphthalen-2-ylpropanamide?
The InChIKey is MZZQWSZJXIXOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-28-14-16-29(17-15-28)18-19-31-25-9-5-4-8-24(25)27-26(30)13-11-21-10-12-22-6-2-3-7-23(22)20-21/h2-10,12,20H,11,13-19H2,1H3,(H,27,30).
What are the key properties of N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-naphthalen-2-ylpropanamide?
N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-naphthalen-2-ylpropanamide has a molecular weight of 417.55 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-naphthalen-2-ylpropanamide is sourced from PubChem (CID 71878336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).