3-[(E)-2-[4-[acetyl(methyl)amino]butan-2-ylamino]prop-1-enyl]imino-N-methylpropanamide

C14H26N4O2 — CID 90245596

IUPAC3-[(E)-2-[4-[acetyl(methyl)amino]butan-2-ylamino]prop-1-enyl]imino-N-methylpropanamide
SMILESCNC(=O)C/C=N/C=C(\C)NC(C)CCN(C)C(C)=O
InChIInChI=1S/C14H26N4O2/c1-11(7-9-18(5)13(3)19)17-12(2)10-16-8-6-14(20)15-4/h8,10-11,17H,6-7,9H2,1-5H3,(H,15,20)/b12-10+,16-8+
InChIKeyIKPWJNXSMDVNCJ-HVLRKUJGSA-N
MW282.39 g/mol
LogP0.90
Rot. Bonds8

About 3-[(E)-2-[4-[acetyl(methyl)amino]butan-2-ylamino]prop-1-enyl]imino-N-methylpropanamide

3-[(E)-2-[4-[acetyl(methyl)amino]butan-2-ylamino]prop-1-enyl]imino-N-methylpropanamide (PubChem CID 90245596) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-[(E)-2-[4-[acetyl(methyl)amino]butan-2-ylamino]prop-1-enyl]imino-N-methylpropanamide.

Molecular Properties

Compound Name3-[(E)-2-[4-[acetyl(methyl)amino]butan-2-ylamino]prop-1-enyl]imino-N-methylpropanamide
PubChem CID90245596
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name3-[(E)-2-[4-[acetyl(methyl)amino]butan-2-ylamino]prop-1-enyl]imino-N-methylpropanamide
SMILESCNC(=O)C/C=N/C=C(\C)NC(C)CCN(C)C(C)=O
InChIInChI=1S/C14H26N4O2/c1-11(7-9-18(5)13(3)19)17-12(2)10-16-8-6-14(20)15-4/h8,10-11,17H,6-7,9H2,1-5H3,(H,15,20)/b12-10+,16-8+
InChIKeyIKPWJNXSMDVNCJ-HVLRKUJGSA-N
XLogP0.90
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-3-[(E)-2-[4-[methyl(2,2,2-trifluoroethyl)amino]butan-2-ylamino]prop-1-enyl]iminopropanamide
CID 90245579
N-methyl-N-[3-[1-(methylideneamino)ethylamino]butyl]acetamide
CID 118617292
N-methyl-N-[(2S)-2-(methylamino)propyl]acetamide
CID 58006956
N-methyl-N-(4-methylpentyl)acetamide
CID 115191246
N-(3-aminobutyl)-N-methylacetamide
CID 88939316
methyl (2S)-2-[[2-[acetyl(methyl)amino]acetyl]amino]propanoate
CID 56817538
N-[2-(diiodoamino)ethyl]-N-methylacetamide
CID 167185842
2-[methyl(methylcarbamoyl)amino]-N-propan-2-ylacetamide
CID 115575214
(3R)-3-acetamido-N-methylbutanamide
CID 87931486
N-methyl-N-[3-(methylamino)propyl]acetamide
CID 23084468
4-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pentanamide
CID 106813309
N-[2-[butan-2-yl(methyl)amino]ethyl]-N-methylacetamide
CID 87110437

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-[4-[acetyl(methyl)amino]butan-2-ylamino]prop-1-enyl]imino-N-methylpropanamide?
The IUPAC name of 3-[(E)-2-[4-[acetyl(methyl)amino]butan-2-ylamino]prop-1-enyl]imino-N-methylpropanamide (CID 90245596) is 3-[(E)-2-[4-[acetyl(methyl)amino]butan-2-ylamino]prop-1-enyl]imino-N-methylpropanamide.
What is the SMILES notation for 3-[(E)-2-[4-[acetyl(methyl)amino]butan-2-ylamino]prop-1-enyl]imino-N-methylpropanamide?
The canonical SMILES for 3-[(E)-2-[4-[acetyl(methyl)amino]butan-2-ylamino]prop-1-enyl]imino-N-methylpropanamide is CNC(=O)C/C=N/C=C(\C)NC(C)CCN(C)C(C)=O.
What is the InChIKey of 3-[(E)-2-[4-[acetyl(methyl)amino]butan-2-ylamino]prop-1-enyl]imino-N-methylpropanamide?
The InChIKey is IKPWJNXSMDVNCJ-HVLRKUJGSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-11(7-9-18(5)13(3)19)17-12(2)10-16-8-6-14(20)15-4/h8,10-11,17H,6-7,9H2,1-5H3,(H,15,20)/b12-10+,16-8+.
What are the key properties of 3-[(E)-2-[4-[acetyl(methyl)amino]butan-2-ylamino]prop-1-enyl]imino-N-methylpropanamide?
3-[(E)-2-[4-[acetyl(methyl)amino]butan-2-ylamino]prop-1-enyl]imino-N-methylpropanamide has a molecular weight of 282.39 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-[4-[acetyl(methyl)amino]butan-2-ylamino]prop-1-enyl]imino-N-methylpropanamide is sourced from PubChem (CID 90245596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).