2-[3-[[1-amino-2,2,3,3-tetramethyl-4-(2-oxopyrrolidin-1-yl)hex-4-enylidene]amino]propanoylamino]ethyl 2-methylprop-2-enoate

C23H38N4O4 — CID 89256551

IUPAC2-[3-[[1-amino-2,2,3,3-tetramethyl-4-(2-oxopyrrolidin-1-yl)hex-4-enylidene]amino]propanoylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)CC/N=C(\N)C(C)(C)C(C)(C)C(=CC)N1CCCC1=O
InChIInChI=1S/C23H38N4O4/c1-8-17(27-14-9-10-19(27)29)22(4,5)23(6,7)21(24)26-12-11-18(28)25-13-15-31-20(30)16(2)3/h8H,2,9-15H2,1,3-7H3,(H2,24,26)(H,25,28)
InChIKeyAWDGDYQOSLYVKJ-UHFFFAOYSA-N
MW434.58 g/mol
LogP2.55
Rot. Bonds11

About 2-[3-[[1-amino-2,2,3,3-tetramethyl-4-(2-oxopyrrolidin-1-yl)hex-4-enylidene]amino]propanoylamino]ethyl 2-methylprop-2-enoate

2-[3-[[1-amino-2,2,3,3-tetramethyl-4-(2-oxopyrrolidin-1-yl)hex-4-enylidene]amino]propanoylamino]ethyl 2-methylprop-2-enoate (PubChem CID 89256551) has the molecular formula C23H38N4O4 and a molecular weight of 434.58 g/mol. Its IUPAC name is 2-[3-[[1-amino-2,2,3,3-tetramethyl-4-(2-oxopyrrolidin-1-yl)hex-4-enylidene]amino]propanoylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[3-[[1-amino-2,2,3,3-tetramethyl-4-(2-oxopyrrolidin-1-yl)hex-4-enylidene]amino]propanoylamino]ethyl 2-methylprop-2-enoate
PubChem CID89256551
Molecular FormulaC23H38N4O4
Molecular Weight434.58 g/mol
Exact Mass434.29
IUPAC Name2-[3-[[1-amino-2,2,3,3-tetramethyl-4-(2-oxopyrrolidin-1-yl)hex-4-enylidene]amino]propanoylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)CC/N=C(\N)C(C)(C)C(C)(C)C(=CC)N1CCCC1=O
InChIInChI=1S/C23H38N4O4/c1-8-17(27-14-9-10-19(27)29)22(4,5)23(6,7)21(24)26-12-11-18(28)25-13-15-31-20(30)16(2)3/h8H,2,9-15H2,1,3-7H3,(H2,24,26)(H,25,28)
InChIKeyAWDGDYQOSLYVKJ-UHFFFAOYSA-N
XLogP2.55
TPSA114.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[3-[[1-amino-2,2,3,3-tetramethyl-4-(2-oxopyrrolidin-1-yl)hex-4-enylidene]amino]propanoylamino]ethyl 2-methylprop-2-enoate with MolForge

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Related Compounds

molecular hydrogen;2-[(2-oxoazocane-1-carbonyl)amino]ethyl 2-methylprop-2-enoate
CID 145345564
2-[2-[3-(2-oxopyrrolidin-1-yl)pent-3-en-2-ylsulfanyl]propanoylamino]ethyl 2-methylprop-2-enoate
CID 89003596
2-[3-[4-formamido-2-(2-oxopyrrolidin-1-yl)pentyl]sulfanylpropanoylamino]ethyl 2-methylprop-2-enoate
CID 58875509
2-(2,2-dimethylpropanoylamino)ethyl 2-methylprop-2-enoate
CID 90228448
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 115700259
2-[3-(2-oxopyrrolidin-1-yl)propoxy]ethyl 2-methylprop-2-enoate
CID 139715962
2-[(4,4-dimethyl-3-oxopentyl)sulfanylcarbonylamino]ethyl 2-methylprop-2-enoate
CID 121300694
2-[[(Z)-octadec-9-enoyl]amino]ethyl 2-methylprop-2-enoate
CID 132559697
3-(5-aminopentanoylamino)propyl 2-methylprop-2-enoate
CID 118143712
2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2-methylprop-2-enoate
CID 91694697
2-[2-(propanoylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 167060925
2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate
CID 18000331

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1-amino-2,2,3,3-tetramethyl-4-(2-oxopyrrolidin-1-yl)hex-4-enylidene]amino]propanoylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[3-[[1-amino-2,2,3,3-tetramethyl-4-(2-oxopyrrolidin-1-yl)hex-4-enylidene]amino]propanoylamino]ethyl 2-methylprop-2-enoate (CID 89256551) is 2-[3-[[1-amino-2,2,3,3-tetramethyl-4-(2-oxopyrrolidin-1-yl)hex-4-enylidene]amino]propanoylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[3-[[1-amino-2,2,3,3-tetramethyl-4-(2-oxopyrrolidin-1-yl)hex-4-enylidene]amino]propanoylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[3-[[1-amino-2,2,3,3-tetramethyl-4-(2-oxopyrrolidin-1-yl)hex-4-enylidene]amino]propanoylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)CC/N=C(\N)C(C)(C)C(C)(C)C(=CC)N1CCCC1=O.
What is the InChIKey of 2-[3-[[1-amino-2,2,3,3-tetramethyl-4-(2-oxopyrrolidin-1-yl)hex-4-enylidene]amino]propanoylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is AWDGDYQOSLYVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O4/c1-8-17(27-14-9-10-19(27)29)22(4,5)23(6,7)21(24)26-12-11-18(28)25-13-15-31-20(30)16(2)3/h8H,2,9-15H2,1,3-7H3,(H2,24,26)(H,25,28).
What are the key properties of 2-[3-[[1-amino-2,2,3,3-tetramethyl-4-(2-oxopyrrolidin-1-yl)hex-4-enylidene]amino]propanoylamino]ethyl 2-methylprop-2-enoate?
2-[3-[[1-amino-2,2,3,3-tetramethyl-4-(2-oxopyrrolidin-1-yl)hex-4-enylidene]amino]propanoylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 434.58 g/mol, XLogP of 2.55, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[1-amino-2,2,3,3-tetramethyl-4-(2-oxopyrrolidin-1-yl)hex-4-enylidene]amino]propanoylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 89256551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).