N-[2-[bis(ethylamino)methylideneamino]ethyl]-3-methylbenzamide

C15H24N4O — CID 110917968

IUPACN-[2-[bis(ethylamino)methylideneamino]ethyl]-3-methylbenzamide
SMILESCCNC(=NCCNC(=O)c1cccc(C)c1)NCC
InChIInChI=1S/C15H24N4O/c1-4-16-15(17-5-2)19-10-9-18-14(20)13-8-6-7-12(3)11-13/h6-8,11H,4-5,9-10H2,1-3H3,(H,18,20)(H2,16,17,19)
InChIKeyKSXMJBVZZRNZJV-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.30
Rot. Bonds6

About N-[2-[bis(ethylamino)methylideneamino]ethyl]-3-methylbenzamide

N-[2-[bis(ethylamino)methylideneamino]ethyl]-3-methylbenzamide (PubChem CID 110917968) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-[bis(ethylamino)methylideneamino]ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[bis(ethylamino)methylideneamino]ethyl]-3-methylbenzamide
PubChem CID110917968
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-[2-[bis(ethylamino)methylideneamino]ethyl]-3-methylbenzamide
SMILESCCNC(=NCCNC(=O)c1cccc(C)c1)NCC
InChIInChI=1S/C15H24N4O/c1-4-16-15(17-5-2)19-10-9-18-14(20)13-8-6-7-12(3)11-13/h6-8,11H,4-5,9-10H2,1-3H3,(H,18,20)(H2,16,17,19)
InChIKeyKSXMJBVZZRNZJV-UHFFFAOYSA-N
XLogP1.30
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-[[(cyclopentylamino)-(ethylamino)methylidene]amino]ethyl]-3-methylbenzamide
CID 110992709
N-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]-3-methylbenzamide
CID 111961383
N-[2-[[N'-(3-ethoxypropyl)-N-ethylcarbamimidoyl]amino]ethyl]-3-methylbenzamide
CID 111224433
N-[2-[[[(1,1-dioxothiolan-3-yl)amino]-(ethylamino)methylidene]amino]ethyl]-3-methylbenzamide
CID 111143344
N-[2-[[N'-(3-ethoxy-4-methylpentyl)-N-ethylcarbamimidoyl]amino]ethyl]-3-methylbenzamide
CID 111718600
N-[2-[[N'-(3-ethoxy-4-methylpentyl)-N-ethylcarbamimidoyl]amino]ethyl]-3-methylbenzamide;hydroiodide
CID 111718599
N-[2-[[N'-[2-(1,3-benzodioxol-5-yl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]-3-methylbenzamide
CID 111379965
N-[2-[[N-ethyl-N'-[3-(2-methylbenzimidazol-1-yl)propyl]carbamimidoyl]amino]ethyl]-3-methylbenzamide
CID 111352236
N-[2-[bis(ethylamino)methylideneamino]ethyl]-4-chlorobenzamide
CID 138994545
N-[2-[[N-ethyl-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]carbamimidoyl]amino]ethyl]-3-methylbenzamide;hydroiodide
CID 111524287
N-[2-[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]ethyl]-3-methylbenzamide;hydroiodide
CID 111739519
N-[2-[[N-ethyl-N'-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamimidoyl]amino]ethyl]-3-methylbenzamide
CID 111972298

Frequently Asked Questions

What is the IUPAC name of N-[2-[bis(ethylamino)methylideneamino]ethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[bis(ethylamino)methylideneamino]ethyl]-3-methylbenzamide (CID 110917968) is N-[2-[bis(ethylamino)methylideneamino]ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[bis(ethylamino)methylideneamino]ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[bis(ethylamino)methylideneamino]ethyl]-3-methylbenzamide is CCNC(=NCCNC(=O)c1cccc(C)c1)NCC.
What is the InChIKey of N-[2-[bis(ethylamino)methylideneamino]ethyl]-3-methylbenzamide?
The InChIKey is KSXMJBVZZRNZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-4-16-15(17-5-2)19-10-9-18-14(20)13-8-6-7-12(3)11-13/h6-8,11H,4-5,9-10H2,1-3H3,(H,18,20)(H2,16,17,19).
What are the key properties of N-[2-[bis(ethylamino)methylideneamino]ethyl]-3-methylbenzamide?
N-[2-[bis(ethylamino)methylideneamino]ethyl]-3-methylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 1.30, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis(ethylamino)methylideneamino]ethyl]-3-methylbenzamide is sourced from PubChem (CID 110917968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).