N-[2-[2-[2-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide

C19H28N2O6 — CID 102232549

IUPACN-[2-[2-[2-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCOCCOCCNC(=O)COc1ccc(CO)cc1
InChIInChI=1S/C19H28N2O6/c1-15(2)19(24)21-8-10-26-12-11-25-9-7-20-18(23)14-27-17-5-3-16(13-22)4-6-17/h3-6,22H,1,7-14H2,2H3,(H,20,23)(H,21,24)
InChIKeyMZGFMYHMVIYWLZ-UHFFFAOYSA-N
MW380.44 g/mol
LogP0.40
Rot. Bonds14

About N-[2-[2-[2-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide

N-[2-[2-[2-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide (PubChem CID 102232549) has the molecular formula C19H28N2O6 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[2-[2-[2-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-[2-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide
PubChem CID102232549
Molecular FormulaC19H28N2O6
Molecular Weight380.44 g/mol
Exact Mass380.19
IUPAC NameN-[2-[2-[2-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCOCCOCCNC(=O)COc1ccc(CO)cc1
InChIInChI=1S/C19H28N2O6/c1-15(2)19(24)21-8-10-26-12-11-25-9-7-20-18(23)14-27-17-5-3-16(13-22)4-6-17/h3-6,22H,1,7-14H2,2H3,(H,20,23)(H,21,24)
InChIKeyMZGFMYHMVIYWLZ-UHFFFAOYSA-N
XLogP0.40
TPSA106.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 50.40
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

2-[2-[2-[[2-[2-[2-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide
CID 167492377
2-(4-aminophenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 114464873
2-methyl-N-[2-[2-[2-[[2-(phosphanylamino)oxyacetyl]amino]ethoxy]ethoxy]ethyl]prop-2-enamide
CID 144887822
2-(4-bromophenoxy)-N-(2-phenylmethoxyethyl)acetamide
CID 99818572
2-[2-[4-[2-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethoxy]ethoxy]phenyl]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 118331491
2-(4-cyanophenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 60731032
2-(4-hydroxyphenoxy)-N-(2-methoxyethyl)acetamide
CID 61485470
methyl 4-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoate
CID 25221074
2-[4-(aminomethyl)phenoxy]-N-(2-propan-2-yloxyethyl)acetamide
CID 104758382
N-carbamoyl-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 28561616
2-[4-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 60623787
N-(2-aminoethyl)-2-[4-(2-methoxyethyl)phenoxy]acetamide
CID 61207330

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[2-[2-[2-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide (CID 102232549) is N-[2-[2-[2-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-[2-[2-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-[2-[2-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCOCCOCCNC(=O)COc1ccc(CO)cc1.
What is the InChIKey of N-[2-[2-[2-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide?
The InChIKey is MZGFMYHMVIYWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O6/c1-15(2)19(24)21-8-10-26-12-11-25-9-7-20-18(23)14-27-17-5-3-16(13-22)4-6-17/h3-6,22H,1,7-14H2,2H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-[2-[2-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide?
N-[2-[2-[2-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide has a molecular weight of 380.44 g/mol, XLogP of 0.40, 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-[4-(hydroxymethyl)phenoxy]acetyl]amino]ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 102232549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).