N-(dibutoxymethyl)-2-methylprop-2-enamide

C13H25NO3 — CID 91873110

IUPACN-(dibutoxymethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(OCCCC)OCCCC
InChIInChI=1S/C13H25NO3/c1-5-7-9-16-13(17-10-8-6-2)14-12(15)11(3)4/h13H,3,5-10H2,1-2,4H3,(H,14,15)
InChIKeyWEHZKFTVVPQESN-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.60
Rot. Bonds10

About N-(dibutoxymethyl)-2-methylprop-2-enamide

N-(dibutoxymethyl)-2-methylprop-2-enamide (PubChem CID 91873110) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(dibutoxymethyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(dibutoxymethyl)-2-methylprop-2-enamide
PubChem CID91873110
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN-(dibutoxymethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(OCCCC)OCCCC
InChIInChI=1S/C13H25NO3/c1-5-7-9-16-13(17-10-8-6-2)14-12(15)11(3)4/h13H,3,5-10H2,1-2,4H3,(H,14,15)
InChIKeyWEHZKFTVVPQESN-UHFFFAOYSA-N
XLogP2.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2-methylprop-2-enoylamino) 2-butoxyhexanoate
CID 57045226
2-methyl-N-[9-(2-methylprop-2-enoylamino)dodecan-4-yl]prop-2-enamide
CID 175297760
2-methyl-N-octan-2-ylprop-2-enamide
CID 54184108
2-methyl-N-tetradecan-2-ylprop-2-enamide
CID 91551786
2-methyl-N-(2-pentoxybutyl)prop-2-enamide
CID 102118149
N-(3-hexoxybutyl)-2-methylprop-2-enamide
CID 102118156
N-(1-chloropropyl)-2-methylprop-2-enamide
CID 23228242
ethyl 2-(2-methylprop-2-enoylamino)propanoate
CID 86135895
2-(2-methylprop-2-enoylamino)decane-1-sulfonic acid
CID 87948398
N-[1-(dodecylamino)propyl]-2-methylprop-2-enamide
CID 174981821
ethyl 2-methoxy-2-(2-methylprop-2-enoylamino)acetate
CID 139839908
2-methyl-N-(octadecoxymethyl)prop-2-enamide
CID 54316435

Frequently Asked Questions

What is the IUPAC name of N-(dibutoxymethyl)-2-methylprop-2-enamide?
The IUPAC name of N-(dibutoxymethyl)-2-methylprop-2-enamide (CID 91873110) is N-(dibutoxymethyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(dibutoxymethyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(dibutoxymethyl)-2-methylprop-2-enamide is C=C(C)C(=O)NC(OCCCC)OCCCC.
What is the InChIKey of N-(dibutoxymethyl)-2-methylprop-2-enamide?
The InChIKey is WEHZKFTVVPQESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-5-7-9-16-13(17-10-8-6-2)14-12(15)11(3)4/h13H,3,5-10H2,1-2,4H3,(H,14,15).
What are the key properties of N-(dibutoxymethyl)-2-methylprop-2-enamide?
N-(dibutoxymethyl)-2-methylprop-2-enamide has a molecular weight of 243.35 g/mol, XLogP of 2.60, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dibutoxymethyl)-2-methylprop-2-enamide is sourced from PubChem (CID 91873110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).