N-(2,5-diethoxyphenyl)-2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]acetamide

C24H34N3O3+ — CID 7098220

IUPACN-(2,5-diethoxyphenyl)-2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)C[NH+]2CCN(c3cccc(C)c3)[C@H](C)C2)c1
InChIInChI=1S/C24H33N3O3/c1-5-29-21-10-11-23(30-6-2)22(15-21)25-24(28)17-26-12-13-27(19(4)16-26)20-9-7-8-18(3)14-20/h7-11,14-15,19H,5-6,12-13,16-17H2,1-4H3,(H,25,28)/p+1/t19-/m1/s1
InChIKeyBYTCDPQHSGCNDS-LJQANCHMSA-O
MW412.55 g/mol
LogP2.52
Rot. Bonds8

About N-(2,5-diethoxyphenyl)-2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]acetamide

N-(2,5-diethoxyphenyl)-2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]acetamide (PubChem CID 7098220) has the molecular formula C24H34N3O3+ and a molecular weight of 412.55 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]acetamide
PubChem CID7098220
Molecular FormulaC24H34N3O3+
Molecular Weight412.55 g/mol
Exact Mass412.26
IUPAC NameN-(2,5-diethoxyphenyl)-2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)C[NH+]2CCN(c3cccc(C)c3)[C@H](C)C2)c1
InChIInChI=1S/C24H33N3O3/c1-5-29-21-10-11-23(30-6-2)22(15-21)25-24(28)17-26-12-13-27(19(4)16-26)20-9-7-8-18(3)14-20/h7-11,14-15,19H,5-6,12-13,16-17H2,1-4H3,(H,25,28)/p+1/t19-/m1/s1
InChIKeyBYTCDPQHSGCNDS-LJQANCHMSA-O
XLogP2.52
TPSA55.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.55
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyano-4,5-dimethoxyphenyl)-2-[(3S)-4-(4-methoxyphenyl)-3-methylpiperazin-1-ium-1-yl]acetamide
CID 7306323
N-(2-cyano-4,5-dimethoxyphenyl)-2-[(3R)-4-(4-methoxyphenyl)-3-methylpiperazin-1-ium-1-yl]acetamide
CID 7306321
N-(2,5-diethoxyphenyl)-2-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 36700176
N-benzyl-N-methyl-2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]acetamide
CID 6600908
N-(2,5-diethoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 60703669
N-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide
CID 33312505
ethyl 4-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate
CID 8932092
N-(2,5-diethoxyphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 24564917
N-(2,5-diethoxyphenyl)-2-methoxyacetamide
CID 34737899
2-(benzhydrylamino)-N-(2,5-diethoxyphenyl)acetamide
CID 24565254
N-(2,5-diethoxyphenyl)pyrrolidine-1-carboxamide
CID 115581858
N-(2,5-diethoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 24564859

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]acetamide (CID 7098220) is N-(2,5-diethoxyphenyl)-2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]acetamide is CCOc1ccc(OCC)c(NC(=O)C[NH+]2CCN(c3cccc(C)c3)[C@H](C)C2)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]acetamide?
The InChIKey is BYTCDPQHSGCNDS-LJQANCHMSA-O. The full InChI is InChI=1S/C24H33N3O3/c1-5-29-21-10-11-23(30-6-2)22(15-21)25-24(28)17-26-12-13-27(19(4)16-26)20-9-7-8-18(3)14-20/h7-11,14-15,19H,5-6,12-13,16-17H2,1-4H3,(H,25,28)/p+1/t19-/m1/s1.
What are the key properties of N-(2,5-diethoxyphenyl)-2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]acetamide?
N-(2,5-diethoxyphenyl)-2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]acetamide has a molecular weight of 412.55 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 7098220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).