N-tert-butyl-2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]acetamide

C18H30N4O2 — CID 111366781

IUPACN-tert-butyl-2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NCCOc1cccc(C)c1
InChIInChI=1S/C18H30N4O2/c1-6-19-17(21-13-16(23)22-18(3,4)5)20-10-11-24-15-9-7-8-14(2)12-15/h7-9,12H,6,10-11,13H2,1-5H3,(H,22,23)(H2,19,20,21)
InChIKeyURTDCJBORAEPCZ-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.84
Rot. Bonds7

About N-tert-butyl-2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]acetamide

N-tert-butyl-2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]acetamide (PubChem CID 111366781) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-tert-butyl-2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]acetamide
PubChem CID111366781
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-tert-butyl-2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NCCOc1cccc(C)c1
InChIInChI=1S/C18H30N4O2/c1-6-19-17(21-13-16(23)22-18(3,4)5)20-10-11-24-15-9-7-8-14(2)12-15/h7-9,12H,6,10-11,13H2,1-5H3,(H,22,23)(H2,19,20,21)
InChIKeyURTDCJBORAEPCZ-UHFFFAOYSA-N
XLogP1.84
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.84
H-Bond Donors ≤ 53
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-tert-butyl-2-[[ethylamino-[2-(3-methylphenyl)ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111382924
N-tert-butyl-2-[[ethylamino-[2-[4-(trifluoromethyl)phenoxy]ethylamino]methylidene]amino]acetamide
CID 111383321
1-ethyl-3-[2-(3-methylphenoxy)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111366773
N,N-diethyl-3-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]propanamide
CID 111366859
N-[2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111366809
1-ethyl-2-(3-methoxypropyl)-3-[2-(3-methylphenoxy)ethyl]guanidine;hydroiodide
CID 110975280
2-[[ethylamino-(2-phenoxyethylamino)methylidene]amino]-N-propylacetamide;hydroiodide
CID 111006182
1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-(3-methylphenoxy)ethyl]guanidine
CID 111664469
1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-(3-methylphenoxy)ethyl]guanidine;hydroiodide
CID 111664468
1-tert-butyl-3-ethyl-2-[2-hydroxy-3-(3-methylphenoxy)propyl]guanidine;hydroiodide
CID 110964634
N-tert-butyl-2-[[ethylamino(propylamino)methylidene]amino]acetamide
CID 111226095
N-ethyl-3-(3-methylphenoxy)propanamide
CID 2129235

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]acetamide (CID 111366781) is N-tert-butyl-2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]acetamide is CCN/C(=N\CC(=O)NC(C)(C)C)NCCOc1cccc(C)c1.
What is the InChIKey of N-tert-butyl-2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]acetamide?
The InChIKey is URTDCJBORAEPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-6-19-17(21-13-16(23)22-18(3,4)5)20-10-11-24-15-9-7-8-14(2)12-15/h7-9,12H,6,10-11,13H2,1-5H3,(H,22,23)(H2,19,20,21).
What are the key properties of N-tert-butyl-2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]acetamide?
N-tert-butyl-2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]acetamide has a molecular weight of 334.46 g/mol, XLogP of 1.84, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]acetamide is sourced from PubChem (CID 111366781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).