N-[2-[bis(ethylamino)methylideneamino]ethyl]-4-methoxybenzamide

C15H24N4O2 — CID 110918641

IUPACN-[2-[bis(ethylamino)methylideneamino]ethyl]-4-methoxybenzamide
SMILESCCNC(=NCCNC(=O)c1ccc(OC)cc1)NCC
InChIInChI=1S/C15H24N4O2/c1-4-16-15(17-5-2)19-11-10-18-14(20)12-6-8-13(21-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H,18,20)(H2,16,17,19)
InChIKeyFGTSNWPVTCMOPE-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.00
Rot. Bonds7

About N-[2-[bis(ethylamino)methylideneamino]ethyl]-4-methoxybenzamide

N-[2-[bis(ethylamino)methylideneamino]ethyl]-4-methoxybenzamide (PubChem CID 110918641) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-[bis(ethylamino)methylideneamino]ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[bis(ethylamino)methylideneamino]ethyl]-4-methoxybenzamide
PubChem CID110918641
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[2-[bis(ethylamino)methylideneamino]ethyl]-4-methoxybenzamide
SMILESCCNC(=NCCNC(=O)c1ccc(OC)cc1)NCC
InChIInChI=1S/C15H24N4O2/c1-4-16-15(17-5-2)19-11-10-18-14(20)12-6-8-13(21-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H,18,20)(H2,16,17,19)
InChIKeyFGTSNWPVTCMOPE-UHFFFAOYSA-N
XLogP1.00
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.00
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-(propan-2-ylamino)methylidene]amino]ethyl]-4-methoxybenzamide;hydroiodide
CID 111125900
N-[2-[[ethylamino-(2-phenoxyethylamino)methylidene]amino]ethyl]-4-methoxybenzamide
CID 111004871
N-[2-[[N-ethyl-N'-(3-methoxypropyl)carbamimidoyl]amino]ethyl]-4-methoxybenzamide
CID 110973731
N-[2-[(N-ethyl-N'-hexylcarbamimidoyl)amino]ethyl]-4-methoxybenzamide
CID 111161547
N-[2-[[N'-(3-butoxypropyl)-N-ethylcarbamimidoyl]amino]ethyl]-4-methoxybenzamide
CID 111239039
N-[2-[[ethylamino-(1-phenylethylamino)methylidene]amino]ethyl]-4-methoxybenzamide
CID 110948132
N-[2-[bis(ethylamino)methylideneamino]ethyl]-4-chlorobenzamide
CID 138994545
N-[2-[[N-ethyl-N'-[2-(2-fluorophenyl)ethyl]carbamimidoyl]amino]ethyl]-4-methoxybenzamide
CID 111361491
N-[2-[[N'-[2-[di(propan-2-yl)amino]ethyl]-N-ethylcarbamimidoyl]amino]ethyl]-4-methoxybenzamide;hydroiodide
CID 111247194
N-[2-(diaminomethylideneamino)ethyl]-4-methoxybenzamide;hydroiodide
CID 110918638
N-[2-[[N-ethyl-N'-[(2-methylphenyl)methyl]carbamimidoyl]amino]ethyl]-4-methoxybenzamide
CID 111359272
N-[2-[[N'-[(4-chlorophenyl)methyl]-N-ethylcarbamimidoyl]amino]ethyl]-4-methoxybenzamide;hydroiodide
CID 111131727

Frequently Asked Questions

What is the IUPAC name of N-[2-[bis(ethylamino)methylideneamino]ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[bis(ethylamino)methylideneamino]ethyl]-4-methoxybenzamide (CID 110918641) is N-[2-[bis(ethylamino)methylideneamino]ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[bis(ethylamino)methylideneamino]ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[bis(ethylamino)methylideneamino]ethyl]-4-methoxybenzamide is CCNC(=NCCNC(=O)c1ccc(OC)cc1)NCC.
What is the InChIKey of N-[2-[bis(ethylamino)methylideneamino]ethyl]-4-methoxybenzamide?
The InChIKey is FGTSNWPVTCMOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-4-16-15(17-5-2)19-11-10-18-14(20)12-6-8-13(21-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H,18,20)(H2,16,17,19).
What are the key properties of N-[2-[bis(ethylamino)methylideneamino]ethyl]-4-methoxybenzamide?
N-[2-[bis(ethylamino)methylideneamino]ethyl]-4-methoxybenzamide has a molecular weight of 292.38 g/mol, XLogP of 1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis(ethylamino)methylideneamino]ethyl]-4-methoxybenzamide is sourced from PubChem (CID 110918641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).