N-[2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide

C18H28N4O2 — CID 111366809

IUPACN-[2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide
SMILESCCN/C(=N\CCNC(=O)C1CC1)NCCOc1cccc(C)c1
InChIInChI=1S/C18H28N4O2/c1-3-19-18(21-10-9-20-17(23)15-7-8-15)22-11-12-24-16-6-4-5-14(2)13-16/h4-6,13,15H,3,7-12H2,1-2H3,(H,20,23)(H2,19,21,22)
InChIKeyXBRUZMRKIKIHDD-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.46
Rot. Bonds9

About N-[2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide

N-[2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide (PubChem CID 111366809) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide
PubChem CID111366809
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide
SMILESCCN/C(=N\CCNC(=O)C1CC1)NCCOc1cccc(C)c1
InChIInChI=1S/C18H28N4O2/c1-3-19-18(21-10-9-20-17(23)15-7-8-15)22-11-12-24-16-6-4-5-14(2)13-16/h4-6,13,15H,3,7-12H2,1-2H3,(H,20,23)(H2,19,21,22)
InChIKeyXBRUZMRKIKIHDD-UHFFFAOYSA-N
XLogP1.46
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.46
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-[2-[[ethylamino-[2-(3-methoxyphenoxy)ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111927466
N-[2-[[ethylamino-[2-(4-methylphenoxy)ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111277131
N-[2-[[ethylamino-[2-[3-(trifluoromethyl)phenoxy]ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111927018
N-[2-[[[2-(2,3-dichlorophenoxy)ethylamino]-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111927912
N-[2-[[ethylamino-(2-naphthalen-1-yloxyethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111927003
N,N-diethyl-3-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]propanamide
CID 111366859
N-[2-[[N-ethyl-N'-[3-(4-methylphenoxy)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111928149
1-ethyl-2-(3-methoxypropyl)-3-[2-(3-methylphenoxy)ethyl]guanidine;hydroiodide
CID 110975280
1-ethyl-3-[2-(3-methylphenoxy)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111366773
N-[4-[3-(3-methylphenoxy)propylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 46438274
N-tert-butyl-2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]acetamide
CID 111366781
N-[2-[[N-ethyl-N'-[2-(3-methoxyphenyl)ethyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111928198

Frequently Asked Questions

What is the IUPAC name of N-[2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide (CID 111366809) is N-[2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide is CCN/C(=N\CCNC(=O)C1CC1)NCCOc1cccc(C)c1.
What is the InChIKey of N-[2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide?
The InChIKey is XBRUZMRKIKIHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-3-19-18(21-10-9-20-17(23)15-7-8-15)22-11-12-24-16-6-4-5-14(2)13-16/h4-6,13,15H,3,7-12H2,1-2H3,(H,20,23)(H2,19,21,22).
What are the key properties of N-[2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide?
N-[2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.46, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 111366809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).