N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-methyl-2-(prop-2-enoylamino)propanamide

C15H29N3O5 — CID 166530467

IUPACN-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-methyl-2-(prop-2-enoylamino)propanamide
SMILESC=CC(=O)NC(C)(C)C(=O)NCCOCCOCCOCCN
InChIInChI=1S/C15H29N3O5/c1-4-13(19)18-15(2,3)14(20)17-6-8-22-10-12-23-11-9-21-7-5-16/h4H,1,5-12,16H2,2-3H3,(H,17,20)(H,18,19)
InChIKeyZRMOIJIOSFKOEJ-UHFFFAOYSA-N
MW331.41 g/mol
LogP-0.81
Rot. Bonds14

About N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-methyl-2-(prop-2-enoylamino)propanamide

N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-methyl-2-(prop-2-enoylamino)propanamide (PubChem CID 166530467) has the molecular formula C15H29N3O5 and a molecular weight of 331.41 g/mol. Its IUPAC name is N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-methyl-2-(prop-2-enoylamino)propanamide.

Molecular Properties

Compound NameN-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-methyl-2-(prop-2-enoylamino)propanamide
PubChem CID166530467
Molecular FormulaC15H29N3O5
Molecular Weight331.41 g/mol
Exact Mass331.21
IUPAC NameN-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-methyl-2-(prop-2-enoylamino)propanamide
SMILESC=CC(=O)NC(C)(C)C(=O)NCCOCCOCCOCCN
InChIInChI=1S/C15H29N3O5/c1-4-13(19)18-15(2,3)14(20)17-6-8-22-10-12-23-11-9-21-7-5-16/h4H,1,5-12,16H2,2-3H3,(H,17,20)(H,18,19)
InChIKeyZRMOIJIOSFKOEJ-UHFFFAOYSA-N
XLogP-0.81
TPSA111.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[1-(2,2-Dimethoxyethylcarbamoyl)-1-methylethyl]acrylamide
CID 21182208
N-(2,2-diethoxybutyl)-2-methyl-2-(prop-2-enoylamino)propanamide
CID 21182210
N-[1-[2-[2-(prop-2-enoylamino)propoxy]ethoxy]propan-2-yl]prop-2-enamide
CID 57827922
N-[1,2-dimethoxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 58454461
2-amino-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-2-methylpropanamide
CID 88316125
[2,2-Dimethyl-3-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]propyl] acetate
CID 88855034
2,2-dimethyl-N-[2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 118332482
N-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]prop-2-enamide
CID 118334726
Methyl 2-[[2-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]acetyl]amino]acetate
CID 123509499
N-[2-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]ethyl]propanamide
CID 126550203
N'-(2-methoxyethyl)-N-[2-(prop-2-enoylamino)ethyl]oxamide
CID 129156823
N-[3-[2-[3-[(2-aminoacetyl)amino]propoxymethyl]-2-(prop-2-enoylamino)-3-[3-(prop-2-enoylamino)propoxy]propoxy]propyl]prop-2-enamide
CID 134320621

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-methyl-2-(prop-2-enoylamino)propanamide?
The IUPAC name of N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-methyl-2-(prop-2-enoylamino)propanamide (CID 166530467) is N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-methyl-2-(prop-2-enoylamino)propanamide.
What is the SMILES notation for N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-methyl-2-(prop-2-enoylamino)propanamide?
The canonical SMILES for N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-methyl-2-(prop-2-enoylamino)propanamide is C=CC(=O)NC(C)(C)C(=O)NCCOCCOCCOCCN.
What is the InChIKey of N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-methyl-2-(prop-2-enoylamino)propanamide?
The InChIKey is ZRMOIJIOSFKOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O5/c1-4-13(19)18-15(2,3)14(20)17-6-8-22-10-12-23-11-9-21-7-5-16/h4H,1,5-12,16H2,2-3H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-methyl-2-(prop-2-enoylamino)propanamide?
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-methyl-2-(prop-2-enoylamino)propanamide has a molecular weight of 331.41 g/mol, XLogP of -0.81, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-methyl-2-(prop-2-enoylamino)propanamide is sourced from PubChem (CID 166530467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).