N-[3-[bis(2-hydroxyethyl)amino]propyl]-2-methylprop-2-enamide

C11H22N2O3 — CID 21391661

IUPACN-[3-[bis(2-hydroxyethyl)amino]propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCN(CCO)CCO
InChIInChI=1S/C11H22N2O3/c1-10(2)11(16)12-4-3-5-13(6-8-14)7-9-15/h14-15H,1,3-9H2,2H3,(H,12,16)
InChIKeyFTFDISZVYWCDGO-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.64
Rot. Bonds9

About N-[3-[bis(2-hydroxyethyl)amino]propyl]-2-methylprop-2-enamide

N-[3-[bis(2-hydroxyethyl)amino]propyl]-2-methylprop-2-enamide (PubChem CID 21391661) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[3-[bis(2-hydroxyethyl)amino]propyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[3-[bis(2-hydroxyethyl)amino]propyl]-2-methylprop-2-enamide
PubChem CID21391661
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC NameN-[3-[bis(2-hydroxyethyl)amino]propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCN(CCO)CCO
InChIInChI=1S/C11H22N2O3/c1-10(2)11(16)12-4-3-5-13(6-8-14)7-9-15/h14-15H,1,3-9H2,2H3,(H,12,16)
InChIKeyFTFDISZVYWCDGO-UHFFFAOYSA-N
XLogP-0.64
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
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-(Dimethylamino)propyl)methacrylamide
CID 78882
N-(2-hydroxypropyl)methacrylamide
CID 38622
N-(2-Hydroxyethyl)methacrylamide
CID 10197699
N,N,N-trimethyl-3-[(2-methylacryloyl)amino]propan-1-aminium
CID 106429
N,N'-Bis(2-hydroxyethyl)-N'-acryloyl-1,3-diaminopropane
CID 131338
N-(1-Hydroxybutan-2-yl)-2-methylprop-2-enamide
CID 12051523
N,N'-(2-hydroxypropane-1,3-diyl)bis(2-methylprop-2-enamide)
CID 20205156
1-Propanaminium, N-(2-hydroxyethyl)-N,N-dimethyl-3-((2-methyl-1-oxo-2-propen-1-yl)amino)-, acetate (1:1)
CID 172680
2-Propenamide, N,N-bis(2-hydroxyethyl)-2-methyl-
CID 3084889
Bis-quaternary methacrylamide monomer
CID 138394840
2-Propenamide, N-[3-(diethylamino)propyl]-2-methyl-
CID 11651323
Methacrylic acid dihydroxyethylamide
CID 18348297

Frequently Asked Questions

What is the IUPAC name of N-[3-[bis(2-hydroxyethyl)amino]propyl]-2-methylprop-2-enamide?
The IUPAC name of N-[3-[bis(2-hydroxyethyl)amino]propyl]-2-methylprop-2-enamide (CID 21391661) is N-[3-[bis(2-hydroxyethyl)amino]propyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[3-[bis(2-hydroxyethyl)amino]propyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[3-[bis(2-hydroxyethyl)amino]propyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCCN(CCO)CCO.
What is the InChIKey of N-[3-[bis(2-hydroxyethyl)amino]propyl]-2-methylprop-2-enamide?
The InChIKey is FTFDISZVYWCDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-10(2)11(16)12-4-3-5-13(6-8-14)7-9-15/h14-15H,1,3-9H2,2H3,(H,12,16).
What are the key properties of N-[3-[bis(2-hydroxyethyl)amino]propyl]-2-methylprop-2-enamide?
N-[3-[bis(2-hydroxyethyl)amino]propyl]-2-methylprop-2-enamide has a molecular weight of 230.31 g/mol, XLogP of -0.64, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[bis(2-hydroxyethyl)amino]propyl]-2-methylprop-2-enamide is sourced from PubChem (CID 21391661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).