2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide

C22H40N2O6 — CID 6455602

IUPAC2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide
SMILESC=C(C)C(=O)OCCNC(C)(C)C.C=C(C)C(=O)OCCO.C=CC(=O)NC(C)C
InChIInChI=1S/C10H19NO2.C6H11NO.C6H10O3/c1-8(2)9(12)13-7-6-11-10(3,4)5;1-4-6(8)7-5(2)3;1-5(2)6(8)9-4-3-7/h11H,1,6-7H2,2-5H3;4-5H,1H2,2-3H3,(H,7,8);7H,1,3-4H2,2H3
InChIKeyMDKXTPYIIDNHPX-UHFFFAOYSA-N
MW428.57 g/mol
LogP2.29
Rot. Bonds9

About 2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide

2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide (PubChem CID 6455602) has the molecular formula C22H40N2O6 and a molecular weight of 428.57 g/mol. Its IUPAC name is 2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide
PubChem CID6455602
Molecular FormulaC22H40N2O6
Molecular Weight428.57 g/mol
Exact Mass428.29
IUPAC Name2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide
SMILESC=C(C)C(=O)OCCNC(C)(C)C.C=C(C)C(=O)OCCO.C=CC(=O)NC(C)C
InChIInChI=1S/C10H19NO2.C6H11NO.C6H10O3/c1-8(2)9(12)13-7-6-11-10(3,4)5;1-4-6(8)7-5(2)3;1-5(2)6(8)9-4-3-7/h11H,1,6-7H2,2-5H3;4-5H,1H2,2-3H3,(H,7,8);7H,1,3-4H2,2H3
InChIKeyMDKXTPYIIDNHPX-UHFFFAOYSA-N
XLogP2.29
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.57
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide 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

poly(N-isopropylacrylamide-co-butyl methacrylate)
CID 3082631
2-(Tert-butylamino)ethyl 2-methylprop-2-enoate;butyl prop-2-enoate;2-hydroxyethyl prop-2-enoate;methyl 2-methylprop-2-enoate
CID 6453517
2-(2,3-dihydroxypropoxycarbonylamino)ethyl 2-methylprop-2-enoate;N-(hydroxymethyl)prop-2-enamide;methyl 2-methylprop-2-enoate
CID 170852431
2-hydroxyethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide
CID 160992876
2-hydroxyethyl prop-2-enoate;2-methyl-N-propan-2-ylprop-2-enamide
CID 87741265
[2-Hydroxy-3-(2-methylprop-2-enoyloxy)propyl]-trimethylazanium;trimethyl-[3-methyl-3-(prop-2-enoylamino)butyl]azanium
CID 87850126
Butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;methyl 2-methoxy-2-(prop-2-enoylamino)acetate
CID 88071806
2-[2-Hydroxyethyl(2-methylprop-2-enoyl)amino]ethyl prop-2-enoate;2-(2-methylprop-2-enoylamino)ethyl 2-methylprop-2-enoate
CID 88390270
2,2-bis(2-methylprop-2-enoylamino)ethyl 2-methylprop-2-enoate;N-[2-(2-hydroxyethoxy)ethyl]prop-2-enamide
CID 88827636
[2-(1,3-dihydroxypropan-2-ylamino)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;3-(1,3-dihydroxypropan-2-ylamino)propyl 2-methylprop-2-enoate;N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]prop-2-enamide
CID 91073558
Ethyl-[2-[2-hydroxy-3-[2-(2-methylprop-2-enoylamino)ethoxy]propoxy]ethyl]-dimethylazanium;ethyl-[2-[2-hydroxy-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl]-dimethylazanium
CID 91080331
2-[2-(Prop-2-enoylamino)ethoxy]ethyl 2-methylprop-2-enoate
CID 118583991

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide?
The IUPAC name of 2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide (CID 6455602) is 2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide.
What is the SMILES notation for 2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide?
The canonical SMILES for 2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide is C=C(C)C(=O)OCCNC(C)(C)C.C=C(C)C(=O)OCCO.C=CC(=O)NC(C)C.
What is the InChIKey of 2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide?
The InChIKey is MDKXTPYIIDNHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C6H11NO.C6H10O3/c1-8(2)9(12)13-7-6-11-10(3,4)5;1-4-6(8)7-5(2)3;1-5(2)6(8)9-4-3-7/h11H,1,6-7H2,2-5H3;4-5H,1H2,2-3H3,(H,7,8);7H,1,3-4H2,2H3.
What are the key properties of 2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide?
2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide has a molecular weight of 428.57 g/mol, XLogP of 2.29, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 6455602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).