2-methyl-N-[3-[3-[3-(3-methylbuta-1,3-dien-2-ylamino)propylamino]buta-1,3-dien-2-ylamino]propyl]prop-2-enamide

C19H32N4O — CID 166886440

IUPAC2-methyl-N-[3-[3-[3-(3-methylbuta-1,3-dien-2-ylamino)propylamino]buta-1,3-dien-2-ylamino]propyl]prop-2-enamide
SMILESC=C(C)C(=C)NCCCNC(=C)C(=C)NCCCNC(=O)C(=C)C
InChIInChI=1S/C19H32N4O/c1-14(2)16(5)20-10-8-11-21-17(6)18(7)22-12-9-13-23-19(24)15(3)4/h20-22H,1,3,5-13H2,2,4H3,(H,23,24)
InChIKeyNDZVZVQDGUCNLK-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.34
Rot. Bonds14

About 2-methyl-N-[3-[3-[3-(3-methylbuta-1,3-dien-2-ylamino)propylamino]buta-1,3-dien-2-ylamino]propyl]prop-2-enamide

2-methyl-N-[3-[3-[3-(3-methylbuta-1,3-dien-2-ylamino)propylamino]buta-1,3-dien-2-ylamino]propyl]prop-2-enamide (PubChem CID 166886440) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-methyl-N-[3-[3-[3-(3-methylbuta-1,3-dien-2-ylamino)propylamino]buta-1,3-dien-2-ylamino]propyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[3-[3-[3-(3-methylbuta-1,3-dien-2-ylamino)propylamino]buta-1,3-dien-2-ylamino]propyl]prop-2-enamide
PubChem CID166886440
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name2-methyl-N-[3-[3-[3-(3-methylbuta-1,3-dien-2-ylamino)propylamino]buta-1,3-dien-2-ylamino]propyl]prop-2-enamide
SMILESC=C(C)C(=C)NCCCNC(=C)C(=C)NCCCNC(=O)C(=C)C
InChIInChI=1S/C19H32N4O/c1-14(2)16(5)20-10-8-11-21-17(6)18(7)22-12-9-13-23-19(24)15(3)4/h20-22H,1,3,5-13H2,2,4H3,(H,23,24)
InChIKeyNDZVZVQDGUCNLK-UHFFFAOYSA-N
XLogP2.34
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]butanamide
CID 59773657
N-(3-bromopropyl)-2-methylprop-2-enamide
CID 86134938
N-(3-dimethylarsanylpropyl)-2-methylprop-2-enamide
CID 87191392
N-(3-aminopropyl)-2-methylprop-2-enamide
CID 158225145
N-icosyl-2-methylprop-2-enamide
CID 22336363
2-methyl-N-[3-(pentylamino)propyl]prop-2-enamide
CID 87504173
N-(4,5-dimethylhex-4-enyl)-2-methylprop-2-enamide
CID 175606829
N-(8-aminooctyl)-2-methylprop-2-enamide
CID 86094836
N-(3-aminopropyl)-2-methylprop-2-enamide;molecular hydrogen
CID 143745168
2-methyl-N-[3-(methylideneamino)propyl]prop-2-enamide
CID 118147374
2-[3-(2-methylprop-2-enoylamino)propylamino]propanedioic acid
CID 87206701
trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride
CID 177404233

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[3-[3-(3-methylbuta-1,3-dien-2-ylamino)propylamino]buta-1,3-dien-2-ylamino]propyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[3-[3-[3-(3-methylbuta-1,3-dien-2-ylamino)propylamino]buta-1,3-dien-2-ylamino]propyl]prop-2-enamide (CID 166886440) is 2-methyl-N-[3-[3-[3-(3-methylbuta-1,3-dien-2-ylamino)propylamino]buta-1,3-dien-2-ylamino]propyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[3-[3-[3-(3-methylbuta-1,3-dien-2-ylamino)propylamino]buta-1,3-dien-2-ylamino]propyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[3-[3-[3-(3-methylbuta-1,3-dien-2-ylamino)propylamino]buta-1,3-dien-2-ylamino]propyl]prop-2-enamide is C=C(C)C(=C)NCCCNC(=C)C(=C)NCCCNC(=O)C(=C)C.
What is the InChIKey of 2-methyl-N-[3-[3-[3-(3-methylbuta-1,3-dien-2-ylamino)propylamino]buta-1,3-dien-2-ylamino]propyl]prop-2-enamide?
The InChIKey is NDZVZVQDGUCNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-14(2)16(5)20-10-8-11-21-17(6)18(7)22-12-9-13-23-19(24)15(3)4/h20-22H,1,3,5-13H2,2,4H3,(H,23,24).
What are the key properties of 2-methyl-N-[3-[3-[3-(3-methylbuta-1,3-dien-2-ylamino)propylamino]buta-1,3-dien-2-ylamino]propyl]prop-2-enamide?
2-methyl-N-[3-[3-[3-(3-methylbuta-1,3-dien-2-ylamino)propylamino]buta-1,3-dien-2-ylamino]propyl]prop-2-enamide has a molecular weight of 332.49 g/mol, XLogP of 2.34, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[3-[3-(3-methylbuta-1,3-dien-2-ylamino)propylamino]buta-1,3-dien-2-ylamino]propyl]prop-2-enamide is sourced from PubChem (CID 166886440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).