N-[3-[3-acetamidopropyl(methyl)amino]propyl]-2-methylprop-2-enamide

C13H25N3O2 — CID 87413302

IUPACN-[3-[3-acetamidopropyl(methyl)amino]propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCN(C)CCCNC(C)=O
InChIInChI=1S/C13H25N3O2/c1-11(2)13(18)15-8-6-10-16(4)9-5-7-14-12(3)17/h1,5-10H2,2-4H3,(H,14,17)(H,15,18)
InChIKeyAUSKNWVHMCWAGQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.53
Rot. Bonds9

About N-[3-[3-acetamidopropyl(methyl)amino]propyl]-2-methylprop-2-enamide

N-[3-[3-acetamidopropyl(methyl)amino]propyl]-2-methylprop-2-enamide (PubChem CID 87413302) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[3-[3-acetamidopropyl(methyl)amino]propyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[3-[3-acetamidopropyl(methyl)amino]propyl]-2-methylprop-2-enamide
PubChem CID87413302
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-[3-[3-acetamidopropyl(methyl)amino]propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCN(C)CCCNC(C)=O
InChIInChI=1S/C13H25N3O2/c1-11(2)13(18)15-8-6-10-16(4)9-5-7-14-12(3)17/h1,5-10H2,2-4H3,(H,14,17)(H,15,18)
InChIKeyAUSKNWVHMCWAGQ-UHFFFAOYSA-N
XLogP0.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[methyl-[4-(2-methylprop-2-enoylamino)butyl]amino]butane-1-sulfonic acid
CID 170161162
N-[2-[dodecyl(methyl)amino]ethyl]-2-methylprop-2-enamide
CID 88943735
N-[3-[3-aminopropyl(methyl)amino]propyl]acetamide
CID 59112836
N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-1-ene
CID 91268844
4-[4-[4-[3-acetamidopropyl(methyl)amino]butyl-methylamino]butyl-methylamino]butanoic acid
CID 58587436
N-[3-[acetyl(chloro)amino]propyl]-2-methylprop-2-enamide
CID 87932132
2-methyl-N-[3-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]propyl]prop-2-enamide
CID 87134522
N-[2-[ethyl(methyl)amino]ethyl]-2-methylprop-2-enamide
CID 18414873
N-[3-deuterio-3-(dimethylamino)propyl]-2-methylprop-2-enamide
CID 175928918
2-methyl-N-[3-[propyl(silyl)amino]propyl]prop-2-enamide
CID 173204091
N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2,3-dimethylbut-2-enamide
CID 139534789
N-[3-[2-[3-formamidopropyl(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]propyl]-2-methylprop-2-enamide
CID 145023747

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-acetamidopropyl(methyl)amino]propyl]-2-methylprop-2-enamide?
The IUPAC name of N-[3-[3-acetamidopropyl(methyl)amino]propyl]-2-methylprop-2-enamide (CID 87413302) is N-[3-[3-acetamidopropyl(methyl)amino]propyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[3-[3-acetamidopropyl(methyl)amino]propyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[3-[3-acetamidopropyl(methyl)amino]propyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCCN(C)CCCNC(C)=O.
What is the InChIKey of N-[3-[3-acetamidopropyl(methyl)amino]propyl]-2-methylprop-2-enamide?
The InChIKey is AUSKNWVHMCWAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-11(2)13(18)15-8-6-10-16(4)9-5-7-14-12(3)17/h1,5-10H2,2-4H3,(H,14,17)(H,15,18).
What are the key properties of N-[3-[3-acetamidopropyl(methyl)amino]propyl]-2-methylprop-2-enamide?
N-[3-[3-acetamidopropyl(methyl)amino]propyl]-2-methylprop-2-enamide has a molecular weight of 255.36 g/mol, XLogP of 0.53, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-acetamidopropyl(methyl)amino]propyl]-2-methylprop-2-enamide is sourced from PubChem (CID 87413302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).