N-[(3-acetamidophenyl)methyl]-N-methyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide

C23H30N4O2 — CID 167768927

IUPACN-[(3-acetamidophenyl)methyl]-N-methyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
SMILESCC(=O)Nc1cccc(CN(C)C(=O)C(c2ccccc2)N2CCN(C)CC2)c1
InChIInChI=1S/C23H30N4O2/c1-18(28)24-21-11-7-8-19(16-21)17-26(3)23(29)22(20-9-5-4-6-10-20)27-14-12-25(2)13-15-27/h4-11,16,22H,12-15,17H2,1-3H3,(H,24,28)
InChIKeyBNVCWPJUWRIKBP-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.59
Rot. Bonds6

About N-[(3-acetamidophenyl)methyl]-N-methyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide

N-[(3-acetamidophenyl)methyl]-N-methyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide (PubChem CID 167768927) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[(3-acetamidophenyl)methyl]-N-methyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[(3-acetamidophenyl)methyl]-N-methyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
PubChem CID167768927
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-[(3-acetamidophenyl)methyl]-N-methyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
SMILESCC(=O)Nc1cccc(CN(C)C(=O)C(c2ccccc2)N2CCN(C)CC2)c1
InChIInChI=1S/C23H30N4O2/c1-18(28)24-21-11-7-8-19(16-21)17-26(3)23(29)22(20-9-5-4-6-10-20)27-14-12-25(2)13-15-27/h4-11,16,22H,12-15,17H2,1-3H3,(H,24,28)
InChIKeyBNVCWPJUWRIKBP-UHFFFAOYSA-N
XLogP2.59
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-2-phenylacetamide
CID 56515048
(2R)-2-[4-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 30740688
N-methyl-2-phenyl-N-(2-phenylethyl)-2-pyrrolidin-1-ylacetamide
CID 86888403
benzyl 2-(4-methylpiperazin-1-yl)-2-phenylacetate
CID 66648860
N-methyl-N-[[3-[(1-methylpiperidin-4-yl)amino]phenyl]methyl]acetamide
CID 43724368
(2S)-N-(3-chloro-4-methylphenyl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 8896671
N-[[3-[[(1S)-2-hydroxy-1-phenylethyl]carbamoylamino]phenyl]methyl]-N-methylacetamide
CID 56826961
3-acetamido-N-[3-[(dimethylamino)methyl]phenyl]-3-phenylpropanamide
CID 86931913
N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methylamino]phenyl]methyl]acetamide
CID 62659590
N-[3-(benzenesulfonylmethyl)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 86934038
2-[[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]amino]acetic acid
CID 119350173
(2R)-2-(4-methylpiperazin-1-yl)-2-phenyl-N-propylacetamide
CID 94820416

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamidophenyl)methyl]-N-methyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide?
The IUPAC name of N-[(3-acetamidophenyl)methyl]-N-methyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide (CID 167768927) is N-[(3-acetamidophenyl)methyl]-N-methyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-[(3-acetamidophenyl)methyl]-N-methyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-[(3-acetamidophenyl)methyl]-N-methyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide is CC(=O)Nc1cccc(CN(C)C(=O)C(c2ccccc2)N2CCN(C)CC2)c1.
What is the InChIKey of N-[(3-acetamidophenyl)methyl]-N-methyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide?
The InChIKey is BNVCWPJUWRIKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-18(28)24-21-11-7-8-19(16-21)17-26(3)23(29)22(20-9-5-4-6-10-20)27-14-12-25(2)13-15-27/h4-11,16,22H,12-15,17H2,1-3H3,(H,24,28).
What are the key properties of N-[(3-acetamidophenyl)methyl]-N-methyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide?
N-[(3-acetamidophenyl)methyl]-N-methyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide has a molecular weight of 394.52 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamidophenyl)methyl]-N-methyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 167768927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).