N-formyl-N-(1-methoxy-2-methylpropan-2-yl)prop-2-enamide

C9H15NO3 — CID 154999909

IUPACN-formyl-N-(1-methoxy-2-methylpropan-2-yl)prop-2-enamide
SMILESC=CC(=O)N(C=O)C(C)(C)COC
InChIInChI=1S/C9H15NO3/c1-5-8(12)10(7-11)9(2,3)6-13-4/h5,7H,1,6H2,2-4H3
InChIKeyBSGSFXOHBQMPLP-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.58
Rot. Bonds5

About N-formyl-N-(1-methoxy-2-methylpropan-2-yl)prop-2-enamide

N-formyl-N-(1-methoxy-2-methylpropan-2-yl)prop-2-enamide (PubChem CID 154999909) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is N-formyl-N-(1-methoxy-2-methylpropan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-formyl-N-(1-methoxy-2-methylpropan-2-yl)prop-2-enamide
PubChem CID154999909
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC NameN-formyl-N-(1-methoxy-2-methylpropan-2-yl)prop-2-enamide
SMILESC=CC(=O)N(C=O)C(C)(C)COC
InChIInChI=1S/C9H15NO3/c1-5-8(12)10(7-11)9(2,3)6-13-4/h5,7H,1,6H2,2-4H3
InChIKeyBSGSFXOHBQMPLP-UHFFFAOYSA-N
XLogP0.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-(1-methoxy-2-methylpropan-2-yl)carbamic acid
CID 89123802
N-(1,1-dihydroxyethyl)-N-methylprop-2-enamide
CID 87731814
2-(hydroxymethyl)-2-(methoxymethyl)propane-1,3-diol;prop-2-enoic acid
CID 174613094
N-[1,3-dimethoxy-2-(methoxymethyl)propan-2-yl]prop-2-enamide
CID 86215980
1-methoxy-N-(1-methoxy-2-methylpropan-2-yl)-N,2-dimethylpropan-2-amine
CID 169191834
N-[2-[di(prop-2-enoyl)amino]ethyl]-N-prop-2-enoylprop-2-enamide
CID 90960823
N,N-di(propan-2-yl)prop-2-enamide;ruthenium
CID 90254621
3-methoxy-2-methyl-2-prop-2-enoxypropanoic acid
CID 114997203
3-methoxy-2-(methoxymethyl)-2-methylpropanal
CID 89202050
methyl 2-[propan-2-yl(prop-2-enoyl)amino]acetate
CID 60948405
N-ethyl-N-[1-[ethyl(prop-2-enoyl)amino]prop-1-enyl]prop-2-enamide
CID 87562000
(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate
CID 16680

Frequently Asked Questions

What is the IUPAC name of N-formyl-N-(1-methoxy-2-methylpropan-2-yl)prop-2-enamide?
The IUPAC name of N-formyl-N-(1-methoxy-2-methylpropan-2-yl)prop-2-enamide (CID 154999909) is N-formyl-N-(1-methoxy-2-methylpropan-2-yl)prop-2-enamide.
What is the SMILES notation for N-formyl-N-(1-methoxy-2-methylpropan-2-yl)prop-2-enamide?
The canonical SMILES for N-formyl-N-(1-methoxy-2-methylpropan-2-yl)prop-2-enamide is C=CC(=O)N(C=O)C(C)(C)COC.
What is the InChIKey of N-formyl-N-(1-methoxy-2-methylpropan-2-yl)prop-2-enamide?
The InChIKey is BSGSFXOHBQMPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-5-8(12)10(7-11)9(2,3)6-13-4/h5,7H,1,6H2,2-4H3.
What are the key properties of N-formyl-N-(1-methoxy-2-methylpropan-2-yl)prop-2-enamide?
N-formyl-N-(1-methoxy-2-methylpropan-2-yl)prop-2-enamide has a molecular weight of 185.22 g/mol, XLogP of 0.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-N-(1-methoxy-2-methylpropan-2-yl)prop-2-enamide is sourced from PubChem (CID 154999909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).