N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide

C18H30N4O — CID 44753800

IUPACN-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCCN(CC)c1ccc(NC(=O)CN2CCN(C)CC2)c(C)c1
InChIInChI=1S/C18H30N4O/c1-5-22(6-2)16-7-8-17(15(3)13-16)19-18(23)14-21-11-9-20(4)10-12-21/h7-8,13H,5-6,9-12,14H2,1-4H3,(H,19,23)
InChIKeyBJWSYVQPOGVHBP-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.03
Rot. Bonds6

About N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide

N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 44753800) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID44753800
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCCN(CC)c1ccc(NC(=O)CN2CCN(C)CC2)c(C)c1
InChIInChI=1S/C18H30N4O/c1-5-22(6-2)16-7-8-17(15(3)13-16)19-18(23)14-21-11-9-20(4)10-12-21/h7-8,13H,5-6,9-12,14H2,1-4H3,(H,19,23)
InChIKeyBJWSYVQPOGVHBP-UHFFFAOYSA-N
XLogP2.03
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide
CID 108951161
N-[4-(diethylamino)-2-methylphenyl]-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 98367238
N-[4-(diethylamino)-2-methylphenyl]-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide
CID 4099042
N-[4-(diethylamino)-2-methylphenyl]-3-(2,3-dihydroindol-1-yl)propanamide
CID 109034896
ethyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate
CID 113001689
2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 108992892
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108955230
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide
CID 170856208
4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 22692306
N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-phenyloxamide
CID 108518693
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide (CID 44753800) is N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide is CCN(CC)c1ccc(NC(=O)CN2CCN(C)CC2)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is BJWSYVQPOGVHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-5-22(6-2)16-7-8-17(15(3)13-16)19-18(23)14-21-11-9-20(4)10-12-21/h7-8,13H,5-6,9-12,14H2,1-4H3,(H,19,23).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 318.47 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 44753800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).