2-methyl-N-[3-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide

C16H28N2O4 — CID 18984254

IUPAC2-methyl-N-[3-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCOCCOCCCNC(=O)C(=C)C
InChIInChI=1S/C16H28N2O4/c1-13(2)15(19)17-7-5-9-21-11-12-22-10-6-8-18-16(20)14(3)4/h1,3,5-12H2,2,4H3,(H,17,19)(H,18,20)
InChIKeyTVLZJKMRIOGQFR-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.18
Rot. Bonds13

About 2-methyl-N-[3-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide

2-methyl-N-[3-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide (PubChem CID 18984254) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-methyl-N-[3-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[3-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide
PubChem CID18984254
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Name2-methyl-N-[3-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCOCCOCCCNC(=O)C(=C)C
InChIInChI=1S/C16H28N2O4/c1-13(2)15(19)17-7-5-9-21-11-12-22-10-6-8-18-16(20)14(3)4/h1,3,5-12H2,2,4H3,(H,17,19)(H,18,20)
InChIKeyTVLZJKMRIOGQFR-UHFFFAOYSA-N
XLogP1.18
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.18
H-Bond Donors ≤ 52
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,n'-diacryloyl-4,7,10-trioxa-1,13-tridecanediamine
CID 11500839
N-(2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)ethyl) methacrylamide
CID 166176636
N-(3-methoxypropyl)-2-methylprop-2-enamide
CID 9989479
2-methyl-N-[3-[4-[3-(2-methylprop-2-enoylamino)propoxy]butoxy]propyl]prop-2-enamide
CID 11595299
2-methyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide
CID 11717387
N-[2-(2-methoxyethoxy)ethyl]-2-methylprop-2-enamide
CID 15332975
N-(1-ethoxypropyl)-2-methylprop-2-enamide
CID 17861946
Trimethyl 3-[3-(2-methylprop-2-enoylamino)propylamino]propyl silicate
CID 18977835
N-{3-[2-(2-Hydroxyethoxy)ethoxy]propyl}-2-methylprop-2-enamide
CID 20161137
2-methyl-N-(3-propoxypropyl)prop-2-enamide
CID 20591608
N-[2,3-bis(2-ethenoxyethoxy)propyl]-2-methylprop-2-enamide
CID 20700086
2-methyl-N-[3-[1-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide
CID 21972133

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[3-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide (CID 18984254) is 2-methyl-N-[3-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[3-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[3-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide is C=C(C)C(=O)NCCCOCCOCCCNC(=O)C(=C)C.
What is the InChIKey of 2-methyl-N-[3-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide?
The InChIKey is TVLZJKMRIOGQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-13(2)15(19)17-7-5-9-21-11-12-22-10-6-8-18-16(20)14(3)4/h1,3,5-12H2,2,4H3,(H,17,19)(H,18,20).
What are the key properties of 2-methyl-N-[3-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide?
2-methyl-N-[3-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide has a molecular weight of 312.41 g/mol, XLogP of 1.18, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide is sourced from PubChem (CID 18984254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).