2-[methyl-[3,5,5-trimethyl-6-[methyl(2-prop-2-enoyloxyethoxycarbonyl)amino]hexyl]carbamoyl]oxyethyl prop-2-enoate

C23H38N2O8 — CID 141499518

IUPAC2-[methyl-[3,5,5-trimethyl-6-[methyl(2-prop-2-enoyloxyethoxycarbonyl)amino]hexyl]carbamoyl]oxyethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(=O)N(C)CCC(C)CC(C)(C)CN(C)C(=O)OCCOC(=O)C=C
InChIInChI=1S/C23H38N2O8/c1-8-19(26)30-12-14-32-21(28)24(6)11-10-18(3)16-23(4,5)17-25(7)22(29)33-15-13-31-20(27)9-2/h8-9,18H,1-2,10-17H2,3-7H3
InChIKeyBMRZFHNAJJXQBD-UHFFFAOYSA-N
MW470.56 g/mol
LogP3.02
Rot. Bonds15

About 2-[methyl-[3,5,5-trimethyl-6-[methyl(2-prop-2-enoyloxyethoxycarbonyl)amino]hexyl]carbamoyl]oxyethyl prop-2-enoate

2-[methyl-[3,5,5-trimethyl-6-[methyl(2-prop-2-enoyloxyethoxycarbonyl)amino]hexyl]carbamoyl]oxyethyl prop-2-enoate (PubChem CID 141499518) has the molecular formula C23H38N2O8 and a molecular weight of 470.56 g/mol. Its IUPAC name is 2-[methyl-[3,5,5-trimethyl-6-[methyl(2-prop-2-enoyloxyethoxycarbonyl)amino]hexyl]carbamoyl]oxyethyl prop-2-enoate.

Molecular Properties

Compound Name2-[methyl-[3,5,5-trimethyl-6-[methyl(2-prop-2-enoyloxyethoxycarbonyl)amino]hexyl]carbamoyl]oxyethyl prop-2-enoate
PubChem CID141499518
Molecular FormulaC23H38N2O8
Molecular Weight470.56 g/mol
Exact Mass470.26
IUPAC Name2-[methyl-[3,5,5-trimethyl-6-[methyl(2-prop-2-enoyloxyethoxycarbonyl)amino]hexyl]carbamoyl]oxyethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(=O)N(C)CCC(C)CC(C)(C)CN(C)C(=O)OCCOC(=O)C=C
InChIInChI=1S/C23H38N2O8/c1-8-19(26)30-12-14-32-21(28)24(6)11-10-18(3)16-23(4,5)17-25(7)22(29)33-15-13-31-20(27)9-2/h8-9,18H,1-2,10-17H2,3-7H3
InChIKeyBMRZFHNAJJXQBD-UHFFFAOYSA-N
XLogP3.02
TPSA111.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[methyl-[3,5,5-trimethyl-6-[methyl(2-prop-2-enoyloxyethoxycarbonyl)amino]hexyl]carbamoyl]oxyethyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,2,4-trimethyl-6-nitrosohexyl)carbamoyloxy]ethyl prop-2-enoate
CID 166780031
3,3,5-trimethylhexyl prop-2-enoate
CID 22633706
2-prop-2-enoyloxyethyl 2,4,4-trimethylpentanoate
CID 134267929
3,4,4-trimethylpentyl prop-2-enoate
CID 151450744
4-(dimethylamino)pentyl prop-2-enoate
CID 159489055
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162118365
2-(2-aminopropoxy)ethyl prop-2-enoate
CID 54040503
2-prop-2-enoyloxyethyl 2-bromopropanoate
CID 10131189
2-[acetyl(chloro)carbamoyl]oxyethyl prop-2-enoate
CID 87456426
4-methylhexyl prop-2-enoate
CID 58980362
2-(2-bromopropoxy)ethyl prop-2-enoate
CID 57007921

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3,5,5-trimethyl-6-[methyl(2-prop-2-enoyloxyethoxycarbonyl)amino]hexyl]carbamoyl]oxyethyl prop-2-enoate?
The IUPAC name of 2-[methyl-[3,5,5-trimethyl-6-[methyl(2-prop-2-enoyloxyethoxycarbonyl)amino]hexyl]carbamoyl]oxyethyl prop-2-enoate (CID 141499518) is 2-[methyl-[3,5,5-trimethyl-6-[methyl(2-prop-2-enoyloxyethoxycarbonyl)amino]hexyl]carbamoyl]oxyethyl prop-2-enoate.
What is the SMILES notation for 2-[methyl-[3,5,5-trimethyl-6-[methyl(2-prop-2-enoyloxyethoxycarbonyl)amino]hexyl]carbamoyl]oxyethyl prop-2-enoate?
The canonical SMILES for 2-[methyl-[3,5,5-trimethyl-6-[methyl(2-prop-2-enoyloxyethoxycarbonyl)amino]hexyl]carbamoyl]oxyethyl prop-2-enoate is C=CC(=O)OCCOC(=O)N(C)CCC(C)CC(C)(C)CN(C)C(=O)OCCOC(=O)C=C.
What is the InChIKey of 2-[methyl-[3,5,5-trimethyl-6-[methyl(2-prop-2-enoyloxyethoxycarbonyl)amino]hexyl]carbamoyl]oxyethyl prop-2-enoate?
The InChIKey is BMRZFHNAJJXQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O8/c1-8-19(26)30-12-14-32-21(28)24(6)11-10-18(3)16-23(4,5)17-25(7)22(29)33-15-13-31-20(27)9-2/h8-9,18H,1-2,10-17H2,3-7H3.
What are the key properties of 2-[methyl-[3,5,5-trimethyl-6-[methyl(2-prop-2-enoyloxyethoxycarbonyl)amino]hexyl]carbamoyl]oxyethyl prop-2-enoate?
2-[methyl-[3,5,5-trimethyl-6-[methyl(2-prop-2-enoyloxyethoxycarbonyl)amino]hexyl]carbamoyl]oxyethyl prop-2-enoate has a molecular weight of 470.56 g/mol, XLogP of 3.02, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3,5,5-trimethyl-6-[methyl(2-prop-2-enoyloxyethoxycarbonyl)amino]hexyl]carbamoyl]oxyethyl prop-2-enoate is sourced from PubChem (CID 141499518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).