N-butoxy-2-methylidenebutanamide

C9H17NO2 — CID 151866708

IUPACN-butoxy-2-methylidenebutanamide
SMILESC=C(CC)C(=O)NOCCCC
InChIInChI=1S/C9H17NO2/c1-4-6-7-12-10-9(11)8(3)5-2/h3-7H2,1-2H3,(H,10,11)
InChIKeySLVFAOJBCVQSDX-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.80
Rot. Bonds6

About N-butoxy-2-methylidenebutanamide

N-butoxy-2-methylidenebutanamide (PubChem CID 151866708) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-butoxy-2-methylidenebutanamide.

Molecular Properties

Compound NameN-butoxy-2-methylidenebutanamide
PubChem CID151866708
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-butoxy-2-methylidenebutanamide
SMILESC=C(CC)C(=O)NOCCCC
InChIInChI=1S/C9H17NO2/c1-4-6-7-12-10-9(11)8(3)5-2/h3-7H2,1-2H3,(H,10,11)
InChIKeySLVFAOJBCVQSDX-UHFFFAOYSA-N
XLogP1.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-butoxy-2-(methylsulfonylmethyl)prop-2-enamide
CID 87928035
N-butoxypropanamide
CID 86250289
(Z)-N-butoxy-2-methylbut-2-enamide
CID 89103955
4-(butoxycarbamoyloxy)-2-methylidenebutanoic acid
CID 122598325
2-butoxy-3-methylidenepent-1-ene
CID 89105844
hexyl 2-methylidenebutanoate;2-methylprop-1-ene
CID 88842326
N-pentoxyprop-2-enamide
CID 174822996
N-[(E)-dec-3-enoxy]-2-methylprop-2-enamide
CID 102118200
methyl 2-oxo-2-(propoxyamino)acetate
CID 15007507
butyl 2-hydroxyprop-2-enoate
CID 18317140
1-butoxyethenyl 2-methylprop-2-enoate
CID 139616041
pentyl 2-(chloromethyl)prop-2-enoate
CID 87575368

Frequently Asked Questions

What is the IUPAC name of N-butoxy-2-methylidenebutanamide?
The IUPAC name of N-butoxy-2-methylidenebutanamide (CID 151866708) is N-butoxy-2-methylidenebutanamide.
What is the SMILES notation for N-butoxy-2-methylidenebutanamide?
The canonical SMILES for N-butoxy-2-methylidenebutanamide is C=C(CC)C(=O)NOCCCC.
What is the InChIKey of N-butoxy-2-methylidenebutanamide?
The InChIKey is SLVFAOJBCVQSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-6-7-12-10-9(11)8(3)5-2/h3-7H2,1-2H3,(H,10,11).
What are the key properties of N-butoxy-2-methylidenebutanamide?
N-butoxy-2-methylidenebutanamide has a molecular weight of 171.24 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butoxy-2-methylidenebutanamide is sourced from PubChem (CID 151866708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).