N-[3-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethoxy]phenyl]acetamide

C19H30N4O2 — CID 111211101

IUPACN-[3-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethoxy]phenyl]acetamide
SMILESCCN/C(=N\CCOc1cccc(NC(C)=O)c1)N1CCC(C)CC1
InChIInChI=1S/C19H30N4O2/c1-4-20-19(23-11-8-15(2)9-12-23)21-10-13-25-18-7-5-6-17(14-18)22-16(3)24/h5-7,14-15H,4,8-13H2,1-3H3,(H,20,21)(H,22,24)
InChIKeyZGJOQEPQTNRXFD-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.72
Rot. Bonds6

About N-[3-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethoxy]phenyl]acetamide

N-[3-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethoxy]phenyl]acetamide (PubChem CID 111211101) has the molecular formula C19H30N4O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[3-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethoxy]phenyl]acetamide
PubChem CID111211101
Molecular FormulaC19H30N4O2
Molecular Weight346.47 g/mol
Exact Mass346.24
IUPAC NameN-[3-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethoxy]phenyl]acetamide
SMILESCCN/C(=N\CCOc1cccc(NC(C)=O)c1)N1CCC(C)CC1
InChIInChI=1S/C19H30N4O2/c1-4-20-19(23-11-8-15(2)9-12-23)21-10-13-25-18-7-5-6-17(14-18)22-16(3)24/h5-7,14-15H,4,8-13H2,1-3H3,(H,20,21)(H,22,24)
InChIKeyZGJOQEPQTNRXFD-UHFFFAOYSA-N
XLogP2.72
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]ethoxy]phenyl]acetamide;hydroiodide
CID 110963758
N-[3-[2-[[ethylamino-[4-(oxolane-2-carbonyl)piperazin-1-yl]methylidene]amino]ethoxy]phenyl]acetamide;hydroiodide
CID 111301724
methyl 1-[N-ethyl-N'-(2-phenoxyethyl)carbamimidoyl]piperidine-4-carboxylate
CID 111252649
4-ethoxy-N-ethyl-N'-[2-(3-methoxyphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111959158
N-[3-[2-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]ethoxy]phenyl]acetamide
CID 110945734
N'-[2-(3-bromophenoxy)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide
CID 111958879
N'-[2-(3-chlorophenoxy)ethyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110955652
(3R)-N-ethyl-N'-[2-(3-fluorophenoxy)ethyl]-3-hydroxypyrrolidine-1-carboximidamide
CID 111550610
N-[3-[[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]methyl]phenyl]butanamide;hydroiodide
CID 111210260
ethyl 4-[N-ethyl-N'-(2-phenoxyethyl)carbamimidoyl]piperazine-1-carboxylate
CID 111163475
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(3-methylphenoxy)ethyl]pyrrolidine-1-carboximidamide
CID 111745721
N'-[2-(3-chlorophenoxy)ethyl]-N-ethyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111301750

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethoxy]phenyl]acetamide?
The IUPAC name of N-[3-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethoxy]phenyl]acetamide (CID 111211101) is N-[3-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethoxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethoxy]phenyl]acetamide?
The canonical SMILES for N-[3-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethoxy]phenyl]acetamide is CCN/C(=N\CCOc1cccc(NC(C)=O)c1)N1CCC(C)CC1.
What is the InChIKey of N-[3-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethoxy]phenyl]acetamide?
The InChIKey is ZGJOQEPQTNRXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-4-20-19(23-11-8-15(2)9-12-23)21-10-13-25-18-7-5-6-17(14-18)22-16(3)24/h5-7,14-15H,4,8-13H2,1-3H3,(H,20,21)(H,22,24).
What are the key properties of N-[3-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethoxy]phenyl]acetamide?
N-[3-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethoxy]phenyl]acetamide has a molecular weight of 346.47 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethoxy]phenyl]acetamide is sourced from PubChem (CID 111211101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).