N-[2-[3-(2-acetamidoethylimino)butan-2-ylideneamino]ethyl]acetamide

C12H22N4O2 — CID 15723054

IUPACN-[2-[3-(2-acetamidoethylimino)butan-2-ylideneamino]ethyl]acetamide
SMILESCC(=O)NCC/N=C(C)/C(C)=N/CCNC(C)=O
InChIInChI=1S/C12H22N4O2/c1-9(13-5-7-15-11(3)17)10(2)14-6-8-16-12(4)18/h5-8H2,1-4H3,(H,15,17)(H,16,18)/b13-9+,14-10+
InChIKeyOAKJONVUATZYNB-UTLPMFLDSA-N
MW254.33 g/mol
LogP0.18
Rot. Bonds7

About N-[2-[3-(2-acetamidoethylimino)butan-2-ylideneamino]ethyl]acetamide

N-[2-[3-(2-acetamidoethylimino)butan-2-ylideneamino]ethyl]acetamide (PubChem CID 15723054) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[2-[3-(2-acetamidoethylimino)butan-2-ylideneamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-(2-acetamidoethylimino)butan-2-ylideneamino]ethyl]acetamide
PubChem CID15723054
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC NameN-[2-[3-(2-acetamidoethylimino)butan-2-ylideneamino]ethyl]acetamide
SMILESCC(=O)NCC/N=C(C)/C(C)=N/CCNC(C)=O
InChIInChI=1S/C12H22N4O2/c1-9(13-5-7-15-11(3)17)10(2)14-6-8-16-12(4)18/h5-8H2,1-4H3,(H,15,17)(H,16,18)/b13-9+,14-10+
InChIKeyOAKJONVUATZYNB-UTLPMFLDSA-N
XLogP0.18
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

S-(2-acetamidoethyl) (213C)ethanethioate
CID 46188004
N-(3-acetamidopropyl)acetamide
CID 5147555
N-[2-[[amino-(cyclopentylamino)methylidene]amino]ethyl]acetamide
CID 62364503
2-(1-aminoethylideneamino)ethylurea
CID 83118199
N-[2-[[ethylamino-(prop-2-enylamino)methylidene]amino]ethyl]acetamide;hydroiodide
CID 136925839
(NE)-N-[3-[2-[2-[[(3E)-3-hydroxyiminobutan-2-ylidene]amino]ethylamino]ethylimino]butan-2-ylidene]hydroxylamine
CID 177428528
tert-butyl N-[2-[[N'-(2-acetamidoethyl)-N-ethylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111884006
N-[2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]acetamide
CID 104883820
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]acetamide;hydroiodide
CID 111027931
N-[4-(4-acetamidobutylamino)butyl]acetamide
CID 10332037
N-[2-[bis(2-acetamidoethyl)amino]ethyl]acetamide
CID 14382083
N-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide
CID 144980902

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-acetamidoethylimino)butan-2-ylideneamino]ethyl]acetamide?
The IUPAC name of N-[2-[3-(2-acetamidoethylimino)butan-2-ylideneamino]ethyl]acetamide (CID 15723054) is N-[2-[3-(2-acetamidoethylimino)butan-2-ylideneamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[3-(2-acetamidoethylimino)butan-2-ylideneamino]ethyl]acetamide?
The canonical SMILES for N-[2-[3-(2-acetamidoethylimino)butan-2-ylideneamino]ethyl]acetamide is CC(=O)NCC/N=C(C)/C(C)=N/CCNC(C)=O.
What is the InChIKey of N-[2-[3-(2-acetamidoethylimino)butan-2-ylideneamino]ethyl]acetamide?
The InChIKey is OAKJONVUATZYNB-UTLPMFLDSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-9(13-5-7-15-11(3)17)10(2)14-6-8-16-12(4)18/h5-8H2,1-4H3,(H,15,17)(H,16,18)/b13-9+,14-10+.
What are the key properties of N-[2-[3-(2-acetamidoethylimino)butan-2-ylideneamino]ethyl]acetamide?
N-[2-[3-(2-acetamidoethylimino)butan-2-ylideneamino]ethyl]acetamide has a molecular weight of 254.33 g/mol, XLogP of 0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-acetamidoethylimino)butan-2-ylideneamino]ethyl]acetamide is sourced from PubChem (CID 15723054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).