N-[2-(2,4-dimethylphenoxy)ethyl]-4-methylpiperazine-1-carboxamide

C16H25N3O2 — CID 112973614

IUPACN-[2-(2,4-dimethylphenoxy)ethyl]-4-methylpiperazine-1-carboxamide
SMILESCc1ccc(OCCNC(=O)N2CCN(C)CC2)c(C)c1
InChIInChI=1S/C16H25N3O2/c1-13-4-5-15(14(2)12-13)21-11-6-17-16(20)19-9-7-18(3)8-10-19/h4-5,12H,6-11H2,1-3H3,(H,17,20)
InChIKeyVRGDLQVABIDYFB-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.64
Rot. Bonds4

About N-[2-(2,4-dimethylphenoxy)ethyl]-4-methylpiperazine-1-carboxamide

N-[2-(2,4-dimethylphenoxy)ethyl]-4-methylpiperazine-1-carboxamide (PubChem CID 112973614) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[2-(2,4-dimethylphenoxy)ethyl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethylphenoxy)ethyl]-4-methylpiperazine-1-carboxamide
PubChem CID112973614
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[2-(2,4-dimethylphenoxy)ethyl]-4-methylpiperazine-1-carboxamide
SMILESCc1ccc(OCCNC(=O)N2CCN(C)CC2)c(C)c1
InChIInChI=1S/C16H25N3O2/c1-13-4-5-15(14(2)12-13)21-11-6-17-16(20)19-9-7-18(3)8-10-19/h4-5,12H,6-11H2,1-3H3,(H,17,20)
InChIKeyVRGDLQVABIDYFB-UHFFFAOYSA-N
XLogP1.64
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,4-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide
CID 112973603
N-[2-(2,4-dimethylphenoxy)ethyl]-4-phenylpiperazine-1-carboxamide
CID 112973642
4-(3-chlorophenyl)-N-[2-(2,4-dimethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112973655
4-benzyl-N-[2-(2,4-dimethylphenoxy)ethyl]piperidine-1-carboxamide
CID 112973670
N-[(2,4-dimethylphenoxy)methyl]-4-ethylpiperazine-1-carboxamide
CID 108870773
N-[2-(2-bromophenoxy)ethyl]-4-methylpiperazine-1-carboxamide
CID 112971026
1-[2-(2,4-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 112973612
4-benzyl-N-[2-(4-chloro-2-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 112976510
3-amino-N-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide
CID 131911189
N-[(2-tert-butyl-4-methylphenoxy)methyl]-4-methylpiperazine-1-carboxamide
CID 108877592
N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-phenylpiperazine-1-carboxamide
CID 112976841
1-butyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973601

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylphenoxy)ethyl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(2,4-dimethylphenoxy)ethyl]-4-methylpiperazine-1-carboxamide (CID 112973614) is N-[2-(2,4-dimethylphenoxy)ethyl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(2,4-dimethylphenoxy)ethyl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(2,4-dimethylphenoxy)ethyl]-4-methylpiperazine-1-carboxamide is Cc1ccc(OCCNC(=O)N2CCN(C)CC2)c(C)c1.
What is the InChIKey of N-[2-(2,4-dimethylphenoxy)ethyl]-4-methylpiperazine-1-carboxamide?
The InChIKey is VRGDLQVABIDYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13-4-5-15(14(2)12-13)21-11-6-17-16(20)19-9-7-18(3)8-10-19/h4-5,12H,6-11H2,1-3H3,(H,17,20).
What are the key properties of N-[2-(2,4-dimethylphenoxy)ethyl]-4-methylpiperazine-1-carboxamide?
N-[2-(2,4-dimethylphenoxy)ethyl]-4-methylpiperazine-1-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylphenoxy)ethyl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 112973614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).