2-[bis(ethylamino)methylideneamino]-N-(3-ethynylphenyl)acetamide

C15H20N4O — CID 110917621

IUPAC2-[bis(ethylamino)methylideneamino]-N-(3-ethynylphenyl)acetamide
SMILESC#Cc1cccc(NC(=O)CN=C(NCC)NCC)c1
InChIInChI=1S/C15H20N4O/c1-4-12-8-7-9-13(10-12)19-14(20)11-18-15(16-5-2)17-6-3/h1,7-10H,5-6,11H2,2-3H3,(H,19,20)(H2,16,17,18)
InChIKeyAUGYYCCVYGKZNB-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.18
Rot. Bonds5

About 2-[bis(ethylamino)methylideneamino]-N-(3-ethynylphenyl)acetamide

2-[bis(ethylamino)methylideneamino]-N-(3-ethynylphenyl)acetamide (PubChem CID 110917621) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[bis(ethylamino)methylideneamino]-N-(3-ethynylphenyl)acetamide.

Molecular Properties

Compound Name2-[bis(ethylamino)methylideneamino]-N-(3-ethynylphenyl)acetamide
PubChem CID110917621
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[bis(ethylamino)methylideneamino]-N-(3-ethynylphenyl)acetamide
SMILESC#Cc1cccc(NC(=O)CN=C(NCC)NCC)c1
InChIInChI=1S/C15H20N4O/c1-4-12-8-7-9-13(10-12)19-14(20)11-18-15(16-5-2)17-6-3/h1,7-10H,5-6,11H2,2-3H3,(H,19,20)(H2,16,17,18)
InChIKeyAUGYYCCVYGKZNB-UHFFFAOYSA-N
XLogP1.18
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[ethylamino-(2-methylsulfanylethylamino)methylidene]amino]-N-(3-ethynylphenyl)acetamide
CID 111344947
2-[[(2-ethoxyethylamino)-(ethylamino)methylidene]amino]-N-(3-ethynylphenyl)acetamide
CID 111894917
2-[[ethylamino-(2-methoxyethylamino)methylidene]amino]-N-(3-ethynylphenyl)acetamide;hydroiodide
CID 110940635
2-[[ethylamino-(4-methylpentylamino)methylidene]amino]-N-(3-ethynylphenyl)acetamide
CID 111942581
2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-N-(3-ethynylphenyl)acetamide;hydroiodide
CID 109471396
2-[[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N-(3-ethynylphenyl)acetamide;hydroiodide
CID 109428672
2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]-N-(3-ethynylphenyl)acetamide;hydroiodide
CID 111213094
2-[[ethylamino-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methylidene]amino]-N-(3-ethynylphenyl)acetamide;hydroiodide
CID 111932405
2-[[ethylamino-[3-(2-oxopyrrolidin-1-yl)propylamino]methylidene]amino]-N-(3-ethynylphenyl)acetamide;hydroiodide
CID 111146910
2-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N-(3-ethynylphenyl)acetamide
CID 111930361
2-[[[(2-tert-butyloxan-3-yl)methylamino]-(ethylamino)methylidene]amino]-N-(3-ethynylphenyl)acetamide
CID 111622890
2-[[ethylamino-[[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]methylidene]amino]-N-(3-ethynylphenyl)acetamide
CID 111655440

Frequently Asked Questions

What is the IUPAC name of 2-[bis(ethylamino)methylideneamino]-N-(3-ethynylphenyl)acetamide?
The IUPAC name of 2-[bis(ethylamino)methylideneamino]-N-(3-ethynylphenyl)acetamide (CID 110917621) is 2-[bis(ethylamino)methylideneamino]-N-(3-ethynylphenyl)acetamide.
What is the SMILES notation for 2-[bis(ethylamino)methylideneamino]-N-(3-ethynylphenyl)acetamide?
The canonical SMILES for 2-[bis(ethylamino)methylideneamino]-N-(3-ethynylphenyl)acetamide is C#Cc1cccc(NC(=O)CN=C(NCC)NCC)c1.
What is the InChIKey of 2-[bis(ethylamino)methylideneamino]-N-(3-ethynylphenyl)acetamide?
The InChIKey is AUGYYCCVYGKZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-12-8-7-9-13(10-12)19-14(20)11-18-15(16-5-2)17-6-3/h1,7-10H,5-6,11H2,2-3H3,(H,19,20)(H2,16,17,18).
What are the key properties of 2-[bis(ethylamino)methylideneamino]-N-(3-ethynylphenyl)acetamide?
2-[bis(ethylamino)methylideneamino]-N-(3-ethynylphenyl)acetamide has a molecular weight of 272.35 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(ethylamino)methylideneamino]-N-(3-ethynylphenyl)acetamide is sourced from PubChem (CID 110917621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).