N-[3-[2-methyl-4-[2-methyl-4-(prop-2-enoylamino)butan-2-yl]oxybutan-2-yl]oxypropyl]prop-2-enamide

C19H34N2O4 — CID 144596587

IUPACN-[3-[2-methyl-4-[2-methyl-4-(prop-2-enoylamino)butan-2-yl]oxybutan-2-yl]oxypropyl]prop-2-enamide
SMILESC=CC(=O)NCCCOC(C)(C)CCOC(C)(C)CCNC(=O)C=C
InChIInChI=1S/C19H34N2O4/c1-7-16(22)20-12-9-14-24-19(5,6)11-15-25-18(3,4)10-13-21-17(23)8-2/h7-8H,1-2,9-15H2,3-6H3,(H,20,22)(H,21,23)
InChIKeyWZQZEUWOSVFIKQ-UHFFFAOYSA-N
MW354.49 g/mol
LogP2.35
Rot. Bonds14

About N-[3-[2-methyl-4-[2-methyl-4-(prop-2-enoylamino)butan-2-yl]oxybutan-2-yl]oxypropyl]prop-2-enamide

N-[3-[2-methyl-4-[2-methyl-4-(prop-2-enoylamino)butan-2-yl]oxybutan-2-yl]oxypropyl]prop-2-enamide (PubChem CID 144596587) has the molecular formula C19H34N2O4 and a molecular weight of 354.49 g/mol. Its IUPAC name is N-[3-[2-methyl-4-[2-methyl-4-(prop-2-enoylamino)butan-2-yl]oxybutan-2-yl]oxypropyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[2-methyl-4-[2-methyl-4-(prop-2-enoylamino)butan-2-yl]oxybutan-2-yl]oxypropyl]prop-2-enamide
PubChem CID144596587
Molecular FormulaC19H34N2O4
Molecular Weight354.49 g/mol
Exact Mass354.25
IUPAC NameN-[3-[2-methyl-4-[2-methyl-4-(prop-2-enoylamino)butan-2-yl]oxybutan-2-yl]oxypropyl]prop-2-enamide
SMILESC=CC(=O)NCCCOC(C)(C)CCOC(C)(C)CCNC(=O)C=C
InChIInChI=1S/C19H34N2O4/c1-7-16(22)20-12-9-14-24-19(5,6)11-15-25-18(3,4)10-13-21-17(23)8-2/h7-8H,1-2,9-15H2,3-6H3,(H,20,22)(H,21,23)
InChIKeyWZQZEUWOSVFIKQ-UHFFFAOYSA-N
XLogP2.35
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 52.35
H-Bond Donors ≤ 52
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'}

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Related Compounds

N-(3-ethoxy-3-methylbutyl)prop-2-enamide
CID 123897679
N-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide
CID 58402359
2,2-dimethyl-4-(prop-2-enoylamino)butanoic acid
CID 174997807
N-[3-[4-[3-(prop-2-enoylamino)propoxy]butoxy]propyl]prop-2-enamide
CID 11522493
N-[3-[3-(2-aminoethoxy)-3-methylbutoxy]-3-methylbutyl]acetamide
CID 122606411
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-(3-amino-3-methylbutyl)prop-2-enamide
CID 18522820
3-(prop-2-enoylamino)propyl 2-methylpropanoate
CID 147188833
N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]acetamide
CID 142467765
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
N-[3-[4-acetamido-7-[3-(prop-2-enoylamino)propoxy]-4-[3-[3-(prop-2-enoylamino)propoxy]propyl]heptoxy]propyl]prop-2-enamide
CID 130462282
N-[3-(2-hydroxyethoxy)propyl]prop-2-enamide
CID 106305722

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-methyl-4-[2-methyl-4-(prop-2-enoylamino)butan-2-yl]oxybutan-2-yl]oxypropyl]prop-2-enamide?
The IUPAC name of N-[3-[2-methyl-4-[2-methyl-4-(prop-2-enoylamino)butan-2-yl]oxybutan-2-yl]oxypropyl]prop-2-enamide (CID 144596587) is N-[3-[2-methyl-4-[2-methyl-4-(prop-2-enoylamino)butan-2-yl]oxybutan-2-yl]oxypropyl]prop-2-enamide.
What is the SMILES notation for N-[3-[2-methyl-4-[2-methyl-4-(prop-2-enoylamino)butan-2-yl]oxybutan-2-yl]oxypropyl]prop-2-enamide?
The canonical SMILES for N-[3-[2-methyl-4-[2-methyl-4-(prop-2-enoylamino)butan-2-yl]oxybutan-2-yl]oxypropyl]prop-2-enamide is C=CC(=O)NCCCOC(C)(C)CCOC(C)(C)CCNC(=O)C=C.
What is the InChIKey of N-[3-[2-methyl-4-[2-methyl-4-(prop-2-enoylamino)butan-2-yl]oxybutan-2-yl]oxypropyl]prop-2-enamide?
The InChIKey is WZQZEUWOSVFIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O4/c1-7-16(22)20-12-9-14-24-19(5,6)11-15-25-18(3,4)10-13-21-17(23)8-2/h7-8H,1-2,9-15H2,3-6H3,(H,20,22)(H,21,23).
What are the key properties of N-[3-[2-methyl-4-[2-methyl-4-(prop-2-enoylamino)butan-2-yl]oxybutan-2-yl]oxypropyl]prop-2-enamide?
N-[3-[2-methyl-4-[2-methyl-4-(prop-2-enoylamino)butan-2-yl]oxybutan-2-yl]oxypropyl]prop-2-enamide has a molecular weight of 354.49 g/mol, XLogP of 2.35, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-methyl-4-[2-methyl-4-(prop-2-enoylamino)butan-2-yl]oxybutan-2-yl]oxypropyl]prop-2-enamide is sourced from PubChem (CID 144596587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).